Biography

2021-present: Full Professor of Physics, University of Limerick, Ireland

2013-2021: Lecturer / Senior Lecturer / Associate Professor in Physics, University of Limerick, Ireland

2005-2013: Scientist in the Theory Modelling and Design Center at Tyndall National Institute, University College Cork, Ireland

2003-2005: Postdoctoral fellow in Computational Biophysics at Ecole Polytechnique (Advisor: Prof Thomas Simonson)

1999-2003: PhD in Computational Chemistry at University of Limerick (Supervisor: Prof Kieran Hodnett)

Research Interests

  • predictive materials modelling
  • self-assembly
  • peptide engineering
  • molecular electronics
  • high-performance computing
  • molecular dynamics simulations
  • electronic structure calculations

Peer Reviewed Journals

2022

Balanced lipase interactions for degradation-controlled paclitaxel release from lipid cubic phase formulations

Dully, M;Bhattacharya, S;Verma, V;Murray, D;Thompson, D;Soulimane, T;Hudson, SP (2022) Balanced lipase interactions for degradation-controlled paclitaxel release from lipid cubic phase formulations. SAN DIEGO : ACADEMIC PRESS INC ELSEVIER SCIENCE Journal of colloid and interface science :978-991

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2022

Thermodynamic solubility of celecoxib in organic solvents

Verma, V;Soto, R;Bhattacharya, S;Thompson, D;Ryan, KM;Padrela, L (2022) Thermodynamic solubility of celecoxib in organic solvents. CAMBRIDGE : ROYAL SOC CHEMISTRY Crystengcomm :698-710

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2021

Understanding solid-state processing of pharmaceutical cocrystals via milling: Role of tablet excipients.

Shaikh R;Shirazian S;Guerin S;Sheehan E;Thompson D;Walker GM;Croker DM; (2021) Understanding solid-state processing of pharmaceutical cocrystals via milling: Role of tablet excipients.. International journal of pharmaceutics

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2021

Restriction boosts piezoelectricity.

Guerin S;Thompson D; (2021) Restriction boosts piezoelectricity.. Nature materials

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2021

Modulation of physical properties of organic cocrystals by amino acid chirality

Ji, W.;Xue, B.;Bera, S.;Guerin, S.;Shimon, L.J.W.;Ma, Q.;Tofail, S.A.M.;Thompson, D.;Cao, Y.;Wang, W.;Gazit, E.; (2021) Modulation of physical properties of organic cocrystals by amino acid chirality. Materials Today

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2021

Piezoelectricity of the Transmembrane Protein ba(3) Cytochrome c Oxidase

Donnell, JO;Cazade, PA;Guerin, S;Djeghader, A;Haq, EU;Tao, K;Gazit, E;Fukada, E;Silien, C;Soulimane, T;Thompson, D;Tofail, SAM (2021) Piezoelectricity of the Transmembrane Protein ba(3) Cytochrome c Oxidase. WEINHEIM : WILEY-V C H VERLAG GMBH Advanced Functional Materials

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2021

A Piezoelectric Ionic Cocrystal of Glycine and Sulfamic Acid

Guerin, S;Khorasani, S;Gleeson, M;O'Donnell, J;Sanii, R;Zwane, R;Reilly, AM;Silien, C;Tofail, SAM;Liu, N;Zaworotko, M;Thompson, D (2021) A Piezoelectric Ionic Cocrystal of Glycine and Sulfamic Acid. WASHINGTON : AMER CHEMICAL SOC Crystal Growth & Design :5818-5827

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2021

A practical approach for standardization of converse piezoelectric constants obtained from piezoresponse force microscopy

O'Donnell, J;Ul Haq, E;Silien, C;Soulimane, T;Thompson, D;Tofail, SAM (2021) A practical approach for standardization of converse piezoelectric constants obtained from piezoresponse force microscopy. MELVILLE : AIP Publishing Journal Of Applied Physics

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2021

Self-Assembled Pyrene Stacks and Peptide Monolayers Tune the Electronic Properties of Functionalized Electrolyte-Gated Graphene Field-Effect Transistors.

Thodkar K;Cazade PA;Bergmann F;Lopez-Calle E;Thompson D;Heindl D; (2021) Self-Assembled Pyrene Stacks and Peptide Monolayers Tune the Electronic Properties of Functionalized Electrolyte-Gated Graphene Field-Effect Transistors.. ACS Applied Materials & Interfaces

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2021

Extended Lifetime of Molecules Adsorbed onto Excipients Drives Nucleation in Heterogeneous Crystallization

Cazade P.A.;Verma V.;Hodnett B.K.;Thompson D. (2021) Extended Lifetime of Molecules Adsorbed onto Excipients Drives Nucleation in Heterogeneous Crystallization. Crystal Growth & Design

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2021

Decision trees within a molecular memristor

Goswami, S;Pramanick, R;Patra, A;Rath, SP;Foltin, M;Ariando, A;Thompson, D;Venkatesan, T;Goswami, S;Williams, RS (2021) Decision trees within a molecular memristor. BERLIN : NATURE PORTFOLIO Nature :51-

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2021

A single atom change turns insulating saturated wires into molecular conductors

Chen, XP;Kretz, B;Adoah, F;Nickle, C;Chi, X;Yu, XJ;del Barco, E;Thompson, D;Egger, DA;Nijhuis, CA (2021) A single atom change turns insulating saturated wires into molecular conductors. BERLIN : NATURE RESEARCH Nature Communications

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2021

Modulating the pro-apoptotic activity of cytochrome c at a biomimetic electrified interface

Gamero-Quijano, Alonso; Bhattacharya, Shayon; Cazade, Pierre-André; Molina-Osorio, Andrés F.; Beecher, Cillian; Djeghader, Ahmed; Soulimane, Tewfik; Dossot, Manuel; Thompson, Damien; Herzog, Grégoire and Scanlon, Micheál D. (2021) Modulating the pro-apoptotic activity of cytochrome c at a biomimetic electrified interface. Science Advances :eabg4119-

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2021

Energy-Level Alignment and Orbital-Selective Femtosecond Charge Transfer Dynamics of Redox-Active Molecules on Au, Ag, and Pt Metal Surfaces

Zhang, ZY;Cao, L;Chen, X;Thompson, D;Qi, DC;Nijhuis, CA (2021) Energy-Level Alignment and Orbital-Selective Femtosecond Charge Transfer Dynamics of Redox-Active Molecules on Au, Ag, and Pt Metal Surfaces. WASHINGTON : AMER CHEMICAL SOC Journal Of Physical Chemistry C :18474-18482

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2021

Understanding solid-state processing of pharmaceutical cocrystals via milling: Role of tablet excipients

Shaikh, R.;Shirazian, S.;Guerin, S.;Sheehan, E.;Thompson, D.;Walker, G.M.;Croker, D.M.; (2021) Understanding solid-state processing of pharmaceutical cocrystals via milling: Role of tablet excipients. International journal of pharmaceutics

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2020

Anchoring and packing of self-assembled monolayers of semithio-bambusurils on Au(111)

Pramod Patil Kunturu;Özlem Kap;Kai Sotthewes;Pierre Cazade;Harold J. W. Zandvliet;Damien Thompson;Ofer Reany;Jurriaan Huskens; (2020) Anchoring and packing of self-assembled monolayers of semithio-bambusurils on Au(111). Molecular Systems Design And Engineering

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2020

Quantitative Polarization-Resolved Second-Harmonic-Generation Microscopy of Glycine Microneedles.

Gleeson M;O'Dwyer K;Guerin S;Rice D;Thompson D;Tofail SAM;Silien C;Liu N; (2020) Quantitative Polarization-Resolved Second-Harmonic-Generation Microscopy of Glycine Microneedles.. Advanced Materials

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2020

Anchoring and packing of self-assembled monolayers of: Semithio-bambusurils on Au(111)

Kunturu P.P.;Kap Ö.;Sotthewes K.;Cazade P.;Zandvliet H.J.W.;Thompson D.;Reany O.;Huskens J. (2020) Anchoring and packing of self-assembled monolayers of: Semithio-bambusurils on Au(111). Molecular Systems Design And Engineering :511-520

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2020

Piezoelectricity in the proteinogenic amino acid L-leucine: A novel piezoactive bioelectret

O'Donnell, J.;Sarkar, S.M.;Guerin, S.;Borda, G.G.;Silien, C.;Soulimane, T.;Thompson, D.;O'Reilly, E.;Tofail, S.A.M.; (2020) Piezoelectricity in the proteinogenic amino acid L-leucine: A novel piezoactive bioelectret. Ieee Transactions On Dielectrics And Electrical Insulation

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2020

Atomistic-Benchmarking towards a protocol development for rapid quantitative metrology of piezoelectric biomolecular materials

O'Donnell J.;Guerin S.;Makam P.;Cazade P.A.;Haq E.U.;Tao K.;Gazit E.;Silien C.;Soulimane T.;Thompson D.;Tofail S.A.M. (2020) Atomistic-Benchmarking towards a protocol development for rapid quantitative metrology of piezoelectric biomolecular materials. Applied Materials Today

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2020

Electric-field-driven dual-functional molecular switches in tunnel junctions

Han Y.;Nickle C.;Zhang Z.;Astier H.P.A.G.;Duffin T.J.;Qi D.;Wang Z.;del Barco E.;Thompson D.;Nijhuis C.A. (2020) Electric-field-driven dual-functional molecular switches in tunnel junctions. Nature materials

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2020

Colossal current and voltage tunability in an organic memristor via electrode engineering

Goswami S.;Thompson D.;Williams R.S.;Goswami S.;Venkatesan T. (2020) Colossal current and voltage tunability in an organic memristor via electrode engineering. Applied Materials Today

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2020

Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation

Ji W.;Xue B.;Bera S.;Guerin S.;Liu Y.;Yuan H.;Li Q.;Yuan C.;Shimon L.J.W.;Ma Q.;Kiely E.;Tofail S.A.M.;Si M.;Yan X.;Cao Y.;Wang W.;Yang R.;Thompson D.;Li J.;Gazit E. (2020) Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation. Acs Nano :10704-10715

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2020

Accelerated charge transfer in water-layered peptide assemblies

Kai Tao;Joseph O’ Donnell;Hui Yuan;Ehtsham. U. Haq;Sarah Guerin;Linda J. W. Shimon;Bin Xue;Christophe Silien;Yi Cao;Damien Thompson;Rusen Yang;Syed A. M. Tofail;Ehud Gazit; (2020) Accelerated charge transfer in water-layered peptide assemblies. Energy & Environmental Science

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2020

Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity

Basavalingappa V.;Bera S.;Xue B.;O'Donnell J.;Guerin S.;Cazade P.A.;Yuan H.;Haq E.U.;Silien C.;Tao K.;Shimon L.J.W.;Tofail S.A.M.;Thompson D.;Kolusheva S.;Yang R.;Cao Y.;Gazit E. (2020) Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity. Acs Nano :7025-7037

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2020

Accelerated charge transfer in water-layered peptide assemblies

Tao K.;Donnell J.;Yuan H.;Haq E.;Guerin S.;Shimon L.;Xue B.;Silien C.;Cao Y.;Thompson D.;Yang R.;Tofail S.;Gazit E. (2020) Accelerated charge transfer in water-layered peptide assemblies. Energy & Environmental Science :96-101

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2020

Long-range Regulation of Partially Folded Amyloidogenic Peptides

Bhattacharya S.;Xu L.;Thompson D. (2020) Long-range Regulation of Partially Folded Amyloidogenic Peptides. Scientific Reports

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2020

Complete aggregation pathway of amyloid β (1-40) and (1-42) resolved on an atomically clean interface

Nirmalraj P.N.;List J.;Battacharya S.;Howe G.;Xu L.;Thompson D.;Mayer M. (2020) Complete aggregation pathway of amyloid β (1-40) and (1-42) resolved on an atomically clean interface. Science Advances

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2020

Charge disproportionate molecular redox for discrete memristive and memcapacitive switching

Goswami S.;Rath S.P.;Thompson D.;Hedström S.;Annamalai M.;Pramanick R.;Ilic B.R.;Sarkar S.;Hooda S.;Nijhuis C.A.;Martin J.;Williams R.S.;Goswami S.;Venkatesan T. (2020) Charge disproportionate molecular redox for discrete memristive and memcapacitive switching. Nature nanotechnology

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2020

Design principles of dual-functional molecular switches in solid-state tunnel junctions

Damien Thompson;Enrique del Barco;Christian A. Nijhuis; (2020) Design principles of dual-functional molecular switches in solid-state tunnel junctions. Applied Physics Letters

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2019

The supramolecular structure and van der Waals interactions affect the electronic structure of ferrocenyl-alkanethiolate SAMs on gold and silver electrodes

Liang Cao;Li Yuan;Ming Yang;Nisachol Nerngchamnong;Damien Thompson;Xiaojiang Yu;Dong-Chen Qi;Christian A. Nijhuis; (2019) The supramolecular structure and van der Waals interactions affect the electronic structure of ferrocenyl-alkanethiolate SAMs on gold and silver electrodes. Nanoscale Advances

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2019

Racemic Amino Acid Piezoelectric Transducer

Guerin, S.;O'Donnell, J.;Haq, E.U.;McKeown, C.;Silien, C.;Rhen, F.M.F.;Soulimane, T.;Tofail, S.A.M.;Thompson, D.; (2019) Racemic Amino Acid Piezoelectric Transducer. Physical Review Letters

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2019

The supramolecular structure and van der Waals interactions affect the electronic structure of ferrocenyl-alkanethiolate SAMs on gold and silver electrodes

Cao L.;Yuan L.;Yang M.;Nerngchamnong N.;Thompson D.;Yu X.;Qi D.;Nijhuis C. (2019) The supramolecular structure and van der Waals interactions affect the electronic structure of ferrocenyl-alkanethiolate SAMs on gold and silver electrodes. Nanoscale Advances :1991-2002

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2019

Valence change ReRAMs (VCM) - Experiments and modelling: General discussion

Aono, M.;Baeumer, C.;Bartlett, P.;Brivio, S.;Burr, G.;Burriel, M.;Carlos, E.;Deswal, S.;Deuermeier, J.;Dittmann, R.;Du, H.;Gale, E.;Hambsch, S.;Hilgenkamp, H.;Ielmini, D.;Kenyon, A.J.;Kiazadeh, A.;Kindsmüller, A.;Kissling, G.;Köymen, I.;Menzel, S.;Pla Asesio, D.;Prodromakis, T.;Santamaria, M.;Shluger, A.;Thompson, D.;Valov, I.;Wang, W.;Waser, R.;Williams, R.S.;Wrana, D.;Wouters, D.;Yang, Y.;Zaffora, A.; (2019) Valence change ReRAMs (VCM) - Experiments and modelling: General discussion. Faraday Discussions

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2019

Self-Assembled Cationic β-Cyclodextrin Nanostructures for siRNA Delivery

Singh R.;Hidalgo T.;Cazade P.;Darcy R.;Cronin M.;Dorin I.;O'Driscoll C.;Thompson D. (2019) Self-Assembled Cationic β-Cyclodextrin Nanostructures for siRNA Delivery. Molecular Pharmaceutics

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2019

Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-β42 and α-synuclein

Bhattacharya S.;Xu L.;Thompson D. (2019) Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-β42 and α-synuclein. Acs Chemical Neuroscience

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2019

Phase-change memories (PCM)-Experiments and modelling: General discussion

Bartlett, P.;Berg, A.I.;Bernasconi, M.;Brown, S.;Burr, G.;Foroutan-Nejad, C.;Gale, E.;Huang, R.;Ielmini, D.;Kissling, G.;Kolosov, V.;Kozicki, M.;Nakamura, H.;Rushchanskii, K.;Salinga, M.;Shluger, A.;Thompson, D.;Valov, I.;Wang, W.;Waser, R.;Williams, R.S.; (2019) Phase-change memories (PCM)-Experiments and modelling: General discussion. Faraday Discussions

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2019

Direct measurement of the local field within alkyl-ferrocenyl-alkanethiolate monolayers: Importance of the supramolecular and electronic structure on the voltammetric response and potential profile

Duffin T.;Nerngchamnong N.;Thompson D.;Nijhuis C. (2019) Direct measurement of the local field within alkyl-ferrocenyl-alkanethiolate monolayers: Importance of the supramolecular and electronic structure on the voltammetric response and potential profile. Electrochimica Acta :92-102

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2019

Monitoring transient changes in the structure of water at a polarised liquid-liquid interface using electrocapillary curves

Suárez-Herrera, Marco F.; Cazade, Pierre-André; Thompson, Damien and Scanlon, Micheál D. (2019) Monitoring transient changes in the structure of water at a polarised liquid-liquid interface using electrocapillary curves. Electrochemistry Communications :106564-

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2019

On the ubiquity of helical α-synuclein tetramers

Liang Xu;Shayon Bhattacharya;Damien Thompson; (2019) On the ubiquity of helical α-synuclein tetramers. Physical Chemistry Chemical Physics

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2019

Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-$beta$42 and $alpha$-synuclein

Bhattacharya, Shayon and Xu, Liang and Thompson, Damien (2019) Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-$beta$42 and $alpha$-synuclein. ACS chemical neuroscience :2830-2842

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2019

Probing Crystal Nucleation of Fenoxycarb from Solution through the Effect of Solvent

Zeglinski J.;Kuhs M.;Devi K.;Khamar D.;Hegarty A.;Thompson D.;Rasmuson Å. (2019) Probing Crystal Nucleation of Fenoxycarb from Solution through the Effect of Solvent. Crystal Growth & Design

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2019

Organic piezoelectric materials: milestones and potential

Guerin, S.;Tofail, S.A.M.;Thompson, D.; (2019) Organic piezoelectric materials: milestones and potential. Npg Asia Materials

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2019

Racemic Amino Acid Piezoelectric Transducer

Guerin, S;O'Donnell, J;Haq, EU;McKeown, C;Silien, C;Rhen, FMF;Soulimane, T;Tofail, SAM;Thompson, D (2019) Racemic Amino Acid Piezoelectric Transducer. COLLEGE PK : AMER PHYSICAL SOC Physical Review Letters

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2019

Organic piezoelectric materials: milestones and potential

Guerin, S.;Tofail, S.A.M.;Thompson, D.; (2019) Organic piezoelectric materials: milestones and potential. Npg Asia Materials

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2019

Bioinspired Stable and Photoluminescent Assemblies for Power Generation

Tao K.;Hu W.;Xue B.;Chovan D.;Brown N.;Shimon L.;Maraba O.;Cao Y.;Tofail S.;Thompson D.;Li J.;Yang R.;Gazit E. (2019) Bioinspired Stable and Photoluminescent Assemblies for Power Generation. Journal Of Advanced Materials

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2018

Re-designing the alpha-synuclein tetramer

Xu, L;Bhattacharya, S;Thompson, D (2018) Re-designing the alpha-synuclein tetramer. CAMBRIDGE : ROYAL SOC CHEMISTRY Chemical Communications :8080-8083

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2018

Longitudinal piezoelectricity in natural calcite materials: Preliminary studies

Guerin, S.;Tofail, S.A.M.;Thompson, D.; (2018) Longitudinal piezoelectricity in natural calcite materials: Preliminary studies. Ieee Transactions On Dielectrics And Electrical Insulation

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2018

Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins

Melissabye Gunnoo;Pierre-André Cazade;Adam Orlowski;Mateusz Chwastyk;Haipei Liu;Duy Tien Ta;Marek Cieplak;Michael Nash;Damien Thompson; (2018) Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins. Physical Chemistry Chemical Physics

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2018

Ordering of Air-Oxidized Decanethiols on Au(111)

Sotthewes, K;Kap, O;Wu, HR;Thompson, D;Huskens, J;Zandvliet, HJW (2018) Ordering of Air-Oxidized Decanethiols on Au(111). WASHINGTON : AMER CHEMICAL SOC Journal Of Physical Chemistry C :8430-8436

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2018

Stable Molecular Diodes Based on pi-pi Interactions of the Molecular Frontier Orbitals with Graphene Electrodes

Song, P,Guerin, S,Tan, SJR,Annadata, HV,Yu, XJ,Scully, M,Han, YM,Roemer, M,Loh, KP,Thompson, D,Nijhuis, CA (2018) Stable Molecular Diodes Based on pi-pi Interactions of the Molecular Frontier Orbitals with Graphene Electrodes. Advanced Materials

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2018

Molecular simulations reveal that a short helical loop regulates thermal stability of type I cohesinâ€'dockerin complexes

Melissabye Gunnoo;Pierre-André Cazade;Edward A. Bayer;Damien Thompson; (2018) Molecular simulations reveal that a short helical loop regulates thermal stability of type I cohesinâ€'dockerin complexes. Physical Chemistry Chemical Physics

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2018

Longitudinal piezoelectricity in natural calcite materials: Preliminary studies

Guerin S.;Tofail S.;Thompson D. (2018) Longitudinal piezoelectricity in natural calcite materials: Preliminary studies. Ieee Transactions On Dielectrics And Electrical Insulation :803-807

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2018

On the distinct binding modes of expansin and carbohydrate-binding module proteins on crystalline and nanofibrous cellulose: implications for cellulose degradation by designer cellulosomes

Orlowski, A,Artzi, L,Cazade, PA,Gunnoo, M,Bayer, EA,Thompson, D (2018) On the distinct binding modes of expansin and carbohydrate-binding module proteins on crystalline and nanofibrous cellulose: implications for cellulose degradation by designer cellulosomes. Physical chemistry chemical physics : PCCP :8278-8293

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2018

On the distinct binding modes of expansin and carbohydrate-binding module proteins on crystalline and nanofibrous cellulose: implications for cellulose degradation by designer cellulosomes

Adam Orłowski;Lior Artzi;Pierre-Andre Cazade;Melissabye Gunnoo;Edward A. Bayer;Damien Thompson; (2018) On the distinct binding modes of expansin and carbohydrate-binding module proteins on crystalline and nanofibrous cellulose: implications for cellulose degradation by designer cellulosomes. Physical Chemistry Chemical Physics

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2018

The laterally acquired GH5 ZgEngA<inf>GH5_4</inf> from the marine bacterium Zobellia galactanivorans is dedicated to hemicellulose hydrolysis

Dorival J.;Ruppert S.;Gunnoo M.;Orłowski A.;Chapelais-Baron M.;Dabin J.;Labourel A.;Thompson D.;Michel G.;Czjzek M.;Genicot S. (2018) The laterally acquired GH5 ZgEngA<inf>GH5_4</inf> from the marine bacterium Zobellia galactanivorans is dedicated to hemicellulose hydrolysis. Biochemical Journal :3609-3628

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2018

Graphene wrinkle effects on molecular resonance states

Nirmalraj, P.N.;Thodkar, K.;Guerin, S.;Calame, M.;Thompson, D.; (2018) Graphene wrinkle effects on molecular resonance states. Npj 2d Materials And Applications

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2018

The fold preference and thermodynamic stability of alpha-synuclein fibrils is encoded in the non-amyloid-beta component region

Xu, L,Bhattacharya, S,Thompson, D (2018) The fold preference and thermodynamic stability of alpha-synuclein fibrils is encoded in the non-amyloid-beta component region. Physical chemistry chemical physics : PCCP :4502-4512

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2018

The fold preference and thermodynamic stability of $alpha$-synuclein fibrils is encoded in the non-amyloid-$beta$ component region

Xu, Liang and Bhattacharya, Shayon and Thompson, Damien (2018) The fold preference and thermodynamic stability of $alpha$-synuclein fibrils is encoded in the non-amyloid-$beta$ component region. Physical Chemistry Chemical Physics :4502-4512

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2018

Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks

Sarah Guerin;Tofail A. M. Syed;Damien Thompson; (2018) Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks. Nanoscale

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2018

Graphene wrinkle effects on molecular resonance states

Nirmalraj, PN,Thodkar, K,Guerin, S,Calame, M,Thompson, D (2018) Graphene wrinkle effects on molecular resonance states. Npj 2d Materials And Applications

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2018

Molecular simulations reveal that a short helical loop regulates thermal stability of type I cohesin-dockerin complexes

Gunnoo, M;Cazade, PA;Bayer, EA;Thompson, D (2018) Molecular simulations reveal that a short helical loop regulates thermal stability of type I cohesin-dockerin complexes. CAMBRIDGE : ROYAL SOC CHEMISTRY Physical Chemistry Chemical Physics :28445-28451

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2018

Re-designing the $alpha$-synuclein tetramer

Xu, Liang and Bhattacharya, Shayon and Thompson, Damien (2018) Re-designing the $alpha$-synuclein tetramer. Chemical communications :8080-8083

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2018

Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks

Guerin, S;Syed, TAM;Thompson, D (2018) Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks. CAMBRIDGE : ROYAL SOC CHEMISTRY Nanoscale :9653-9663

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2018

Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment

Shayon Bhattacharya;Liang Xu;Damien Thompson; (2018) Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment. Wiley Interdisciplinary Reviews: Computational Molecular Science

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2018

Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins

Gunnoo, M;Cazade, PA;Orlowski, A;Chwastyk, M;Liu, H;Ta, DT;Cieplak, M;Nash, M;Thompson, D (2018) Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins. CAMBRIDGE : ROYAL SOC CHEMISTRY Physical Chemistry Chemical Physics :22674-22680

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2018

Control of piezoelectricity in amino acids by supramolecular packing

Guerin, S,Stapleton, A,Chovan, D,Mouras, R,Gleeson, M,McKeown, C,Noor, MR,Silien, C,Rhen, FMF,Kholkin, AL,Liu, N,Soulimane, T,Tofail, SAM,Thompson, D (2018) Control of piezoelectricity in amino acids by supramolecular packing. Nature materials :180-

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2018

Stable Molecular Diodes Based on πâ€'π Interactions of the Molecular Frontier Orbitals with Graphene Electrodes

Song, P.;Guerin, S.;Tan, S.J.R.;Annadata, H.V.;Yu, X.;Scully, M.;Han, Y.M.;Roemer, M.;Loh, K.P.;Thompson, D.;Nijhuis, C.A.; (2018) Stable Molecular Diodes Based on πâ€'π Interactions of the Molecular Frontier Orbitals with Graphene Electrodes. Journal Of Advanced Materials

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2018

Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment

Bhattacharya, Shayon and Xu, Liang and Thompson, Damien (2018) Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment. Wiley Interdisciplinary Reviews: Computational Molecular Science :e1359-

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2018

Longitudinal Piezoelectricity in Orthorhombic Amino Acid Crystal Films

Guerin, S;Tofail, SAM;Thompson, D (2018) Longitudinal Piezoelectricity in Orthorhombic Amino Acid Crystal Films. WASHINGTON : AMER CHEMICAL SOC Crystal Growth & Design :4844-4848

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2018

Subcellular Imaging of Liquid Silicone Coated-Intestinal Epithelial Cells

Nirmalraj, P;Lehner, R;Thompson, D;Rothen-Rutishauser, B;Mayer, M (2018) Subcellular Imaging of Liquid Silicone Coated-Intestinal Epithelial Cells. LONDON : NATURE PUBLISHING GROUP Scientific Reports

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2018

Re-designing the α-synuclein tetramer

Liang Xu;Shayon Bhattacharya;Damien Thompson; (2018) Re-designing the α-synuclein tetramer. Chemical Communications

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2017

Molecular diodes with rectification ratios exceeding 10<sup>5</sup> driven by electrostatic interactions

Chen X.;Roemer M.;Yuan L.;Du W.;Thompson D.;Del Barco E.;Nijhuis C. (2017) Molecular diodes with rectification ratios exceeding 10<sup>5</sup> driven by electrostatic interactions. Nature nanotechnology :797-803

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2017

Molecular diodes with rectification ratios exceeding 10(5) driven by electrostatic interactions

Chen, XP,Roemer, M,Yuan, L,Du, W,Thompson, D,del Barco, E,Nijhuis, CA (2017) Molecular diodes with rectification ratios exceeding 10(5) driven by electrostatic interactions. Nature nanotechnology :797-803

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2017

Supramolecular Structure of the Monolayer Triggers Odd-Even Effects in the Tunneling Rates across Noncovalent Junctions on Graphene

Song, P,Thompson, D,Annadata, HV,Guerin, S,Loh, KP,Nijhuis, CA (2017) Supramolecular Structure of the Monolayer Triggers Odd-Even Effects in the Tunneling Rates across Noncovalent Junctions on Graphene. Journal Of Physical Chemistry C :4172-4180

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2017

Familial Mutations May Switch Conformational Preferences in alpha-Synuclein Fibrils

Xu, L,Ma, B,Nussinoy, R,Thompson, D (2017) Familial Mutations May Switch Conformational Preferences in alpha-Synuclein Fibrils. Acs Chemical Neuroscience :837-849

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2017

The length but not the sequence of peptide linker modules exerts the primary influence on the conformations of protein domains in cellulosome multi-enzyme complexes

Rozycki, B,Cazade, PA,O'Mahony, S,Thompson, D,Cieplak, M (2017) The length but not the sequence of peptide linker modules exerts the primary influence on the conformations of protein domains in cellulosome multi-enzyme complexes. Physical chemistry chemical physics : PCCP :21414-21425

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2017

Non-local effects of point mutations on the stability of a protein module

Chwastyk, M,Vera, AM,Galera-Prat, A,Gunnoo, M,Thompson, D,Carrion-Vazquez, M,Cieplak, M (2017) Non-local effects of point mutations on the stability of a protein module. Journal Of Chemical Physics

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2017

Restoring the Electrical Properties of CVD Graphene via Physisorption of Molecular Adsorbates

Thodkar, K,Thompson, D,Luond, F,Moser, L,Ovemey, F,Marot, L,Schonenberger, C,Jeanneret, B,Calame, M (2017) Restoring the Electrical Properties of CVD Graphene via Physisorption of Molecular Adsorbates. ACS Applied Materials & Interfaces :25014-25022

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2017

Motion of Fullerenes around Topological Defects on Metals: Implications for the Progress of Molecular Scale Devices

Nirmalraj, P,Daly, R,Martin, N,Thompson, D (2017) Motion of Fullerenes around Topological Defects on Metals: Implications for the Progress of Molecular Scale Devices. ACS Applied Materials & Interfaces :7897-7902

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2017

First Principles Design of Organic Piezoelectric Devices

Guerin, S.;Stapleton, A.;Chovan, D.;Tofail, S. A.;Thompson, D.; (2017) First Principles Design of Organic Piezoelectric Devices. European Biophysics Journal With Biophysics Letters

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2017

Controlling Protein Surface Orientation by Strategic Placement of Oligo-Histidine Tags

Wasserberg, D,Cabanas-Danes, J,Prangsma, J,O'Mahony, S,Cazade, PA,Tromp, E,Blum, C,Thompson, D,Huskens, J,Subramaniam, V,Jonkheijm, P (2017) Controlling Protein Surface Orientation by Strategic Placement of Oligo-Histidine Tags. Acs Nano :9068-9083

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2017

Characterization of monomers of amyloidogenesis by computer simulations: benchmarking methods

Bhattacharya, S.;Dominguez, J. L.;Xu, L.;Thompson, D.; (2017) Characterization of monomers of amyloidogenesis by computer simulations: benchmarking methods. European Biophysics Journal With Biophysics Letters

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2017

Supramolecular Structure of the Monolayer Triggers Odd-Even Effects in the Tunneling Rates across Noncovalent Junctions on Graphene

Song, P.;Thompson, D.;Annadata, H.V.;Guerin, S.;Loh, K.P.;Nijhuis, C.A.; (2017) Supramolecular Structure of the Monolayer Triggers Odd-Even Effects in the Tunneling Rates across Noncovalent Junctions on Graphene. Journal Of Physical Chemistry C

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2016

Fingerprinting Electronic Molecular Complexes in Liquid

Nirmalraj, P,La Rosa, A,Thompson, D,Sousa, M,Martin, N,Gotsmann, B,Riel, H (2016) Fingerprinting Electronic Molecular Complexes in Liquid. Scientific Reports

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2016

Noncovalent Self-Assembled Monolayers on Graphene as a Highly Stable Platform for Molecular Tunnel Junctions

Song, P,Sangeeth, CSS,Thompson, D,Du, W,Loh, KP,Nijhuis, CA (2016) Noncovalent Self-Assembled Monolayers on Graphene as a Highly Stable Platform for Molecular Tunnel Junctions. Advanced Materials :631-639

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2016

Nanoscale Engineering of Designer Cellulosomes

Gunnoo, M.;Cazade, P.-A.;Galera-Prat, A.;Nash, M.A.;Czjzek, M.;Cieplak, M.;Alvarez, B.;Aguilar, M.;Karpol, A.;Gaub, H.;Carrión-Vázquez, M.;Bayer, E.A.;Thompson, D.; (2016) Nanoscale Engineering of Designer Cellulosomes. Journal Of Advanced Materials

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2016

A robust molecular probe for Angstrom-scale analytics in liquids

Nirmalraj, P,Thompson, D,Dimitrakopoulos, C,Gotsmann, B,Dumcenco, D,Kis, A,Riel, H (2016) A robust molecular probe for Angstrom-scale analytics in liquids. Nature Communications

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2016

Even the Odd Numbers Help: Failure Modes of SAM-Based Tunnel Junctions Probed via Odd-Even Effects Revealed in Synchrotrons and Supercomputers

Thompson D.;Nijhuis C. (2016) Even the Odd Numbers Help: Failure Modes of SAM-Based Tunnel Junctions Probed via Odd-Even Effects Revealed in Synchrotrons and Supercomputers. Accounts Of Chemical Research :2061-2069

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2015

Capturing the embryonic stages of self-assembly - design rules for molecular computation

Nirmalraj, PN,Thompson, D,Riel, HE (2015) Capturing the embryonic stages of self-assembly - design rules for molecular computation. Scientific Reports

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2015

On the hydration of subnanometric antifouling organosilane adlayers: A molecular dynamics simulation

Sheikh, S,Blaszykowski, C,Nolan, R,Thompson, D,Thompson, M (2015) On the hydration of subnanometric antifouling organosilane adlayers: A molecular dynamics simulation. Journal of colloid and interface science :197-204

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2015

Physisorption Controls the Conformation and Density of States of an Adsorbed Porphyrin

Jarvis, SP,Taylor, S,Baran, JD,Thompson, D,Saywell, A,Mangham, B,Champness, NR,Larsson, JK,Moriarty, P (2015) Physisorption Controls the Conformation and Density of States of an Adsorbed Porphyrin. Journal Of Physical Chemistry C :27982-27994

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2015

Peptide Recognition Capabilities of Cellulose in Molecular Dynamics Simulations

Nawrocki, G,Cazade, PA,Thompson, D,Cieplak, M (2015) Peptide Recognition Capabilities of Cellulose in Molecular Dynamics Simulations. Journal Of Physical Chemistry C :24404-24416

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2015

Nonideal Electrochemical Behavior of Ferrocenyl-Alkanethiolate SAMs Maps the Microenvironment of the Redox Unit

Nerngchamnong, N,Thompson, D,Cao, L,Yuan, L,Jiang, L,Roemer, M,Nijhuis, CA (2015) Nonideal Electrochemical Behavior of Ferrocenyl-Alkanethiolate SAMs Maps the Microenvironment of the Redox Unit. Journal Of Physical Chemistry C :21978-21991

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2015

Formation Mechanism of Metal-Molecule-Metal Junctions: Molecule-Assisted Migration on Metal Defects

Thompson, D,Liao, JH,Nolan, M,Quinn, AJ,Nijhuis, CA,O'Dwyer, C,Nirmalraj, PN,Schonenberger, C,Calame, M (2015) Formation Mechanism of Metal-Molecule-Metal Junctions: Molecule-Assisted Migration on Metal Defects. Journal Of Physical Chemistry C :19438-19451

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2015

One-Nanometer Thin Mono layers Remove the Deleterious Effect of Substrate Defects in Molecular Tunnel Junctions

Jiang, L,Sangeeth, CSS,Yuan, L,Thompson, D,Nijhuis, CA (2015) One-Nanometer Thin Mono layers Remove the Deleterious Effect of Substrate Defects in Molecular Tunnel Junctions. Nano Letters :6643-6649

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2015

One Carbon Matters: The Origin and Reversal of Odd-Even Effects in Molecular Diodes with Self-Assembled Monolayers of Ferrocenyl-Alkanethiolates

Yuan, L,Thompson, D,Cao, L,Nerngchangnong, N,Nijhuis, CA (2015) One Carbon Matters: The Origin and Reversal of Odd-Even Effects in Molecular Diodes with Self-Assembled Monolayers of Ferrocenyl-Alkanethiolates. Journal Of Physical Chemistry C :17910-17919

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2015

Controlling the direction of rectification in a molecular diode

Yuan, L,Nerngchamnong, N,Cao, L,Hamoudi, H,del Barco, E,Roemer, M,Sriramula, RK,Thompson, D,Nijhuis, CA (2015) Controlling the direction of rectification in a molecular diode. Nature Communications

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2014

Reassigning the most stable surface of hydroxyapatite to the water resistant hydroxyl terminated (010) surface

Zeglinski, Jacek,Nolan, Michael,Thompson, Damien,Tofail, Syed A.M. (2014) Reassigning the most stable surface of hydroxyapatite to the water resistant hydroxyl terminated (010) surface. Surface Science :55-63

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2014

On the hydration of subnanometric antifouling organosilane adlayers: A molecular dynamics simulation.

Sheikh S, Blaszykowski C, Nolan R, Thompson D, Thompson M (2014) On the hydration of subnanometric antifouling organosilane adlayers: A molecular dynamics simulation.. Journal of colloid and interface science :197-204

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2014

Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface

Nirmalraj, P,Thompson, D,Molina-Ontoria, A,Sousa, M,Martin, N,Gotsmann, B,Riel, H (2014) Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface. Nature materials :947-953

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2014

On the Remarkable Role of Surface Topography of the Bottom Electrodes in Blocking Leakage Currents in Molecular Diodes

Yuan, L,Jiang, L,Thompson, D,Nijhuis, CA (2014) On the Remarkable Role of Surface Topography of the Bottom Electrodes in Blocking Leakage Currents in Molecular Diodes. Journal of the American Chemical Society :6554-6557

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2014

Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface.

Nirmalraj P, Thompson D, Molina-Ontoria A, Sousa M, Martín N, Gotsmann B, Riel H (2014) Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface.. Nature materials :947-953

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2014

On the remarkable role of surface topography of the bottom electrodes in blocking leakage currents in molecular diodes.

Yuan L, Jiang L, Thompson D, Nijhuis CA (2014) On the remarkable role of surface topography of the bottom electrodes in blocking leakage currents in molecular diodes.. Journal of the American Chemical Society :6554-6557

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2014

Mechanostability of cohesin-dockerin complexes in a structure-based model: Anisotropy and lack of universality in the force profiles

Wojciechowski, M,Thompson, D,Cieplak, M (2014) Mechanostability of cohesin-dockerin complexes in a structure-based model: Anisotropy and lack of universality in the force profiles. Journal Of Chemical Physics

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2014

Reassigning the most stable surface of hydroxyapatite to the water resistant hydroxyl terminated (010) surface

Zeglinski, J,Nolan, M,Thompson, D,Tofail, SAM (2014) Reassigning the most stable surface of hydroxyapatite to the water resistant hydroxyl terminated (010) surface. Surface Science :55-63

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2013

Nanoscale dynamics and protein adhesivity of alkylamine self-assembled monolayers on graphene.

O'Mahony S, O'Dwyer C, Nijhuis CA, Greer JC, Quinn AJ, Thompson D (2013) Nanoscale dynamics and protein adhesivity of alkylamine self-assembled monolayers on graphene.. Langmuir :7271-7282

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2013

Large directional conductivity change in chemically stable layered thin films of vanadium oxide and a 1D metal complex

Glynn, C,Thompson, D,Paez, J,Collins, G,Benavente, E,Lavayen, V,Yutronic, N,Holmes, JD,Gonzalez, G,O'Dwyer, C (2013) Large directional conductivity change in chemically stable layered thin films of vanadium oxide and a 1D metal complex. Journal Of Materials Chemistry C :5675-5684

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2013

The role of van der Waals forces in the performance of molecular diodes.

Nerngchamnong N, Yuan L, Qi DC, Li J, Thompson D, Nijhuis CA (2013) The role of van der Waals forces in the performance of molecular diodes.. Nature nanotechnology :113-118

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2013

A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticles.

Thompson D, Sikora M, Szymczak P, Cieplak M (2013) A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticles.. Physical chemistry chemical physics : PCCP :8132-8143

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2013

The role of van der Waals forces in the performance of molecular diodes

Nerngchamnong, Nisachol;Yuan, Li;Qi, Dong-Chen;Li, Jiang;Thompson, Damien;Nijhuis, Christian A.; (2013) The role of van der Waals forces in the performance of molecular diodes. Nature nanotechnology

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2012

Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures.

Thompson D, Hermes JP, Quinn AJ, Mayor M (2012) Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: design rules for true single-molecule nanostructures.. Acs Nano :3007-3017

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2012

Accommodating Curvature in a Highly Ordered Functionalized Metal Oxide Nanofiber: Synthesis, Characterization, and Multiscale Modeling of Layered Nanosheets

O’Dwyer, C.,Gannon, G.,McNulty, D.,Buckley, D. N.,Thompson, D. (2012) Accommodating Curvature in a Highly Ordered Functionalized Metal Oxide Nanofiber: Synthesis, Characterization, and Multiscale Modeling of Layered Nanosheets. : American Chemical Society Chemistry of Materials :3981-3992

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2012

Non-Covalent Functionalization of Graphene Using Self-Assembly of Alkane-Amines

Long, Brenda and Manning, Mary and Burke, Micheal and Szafranek, Bartholomaeus N. and Visimberga, Giuseppe and Thompson, Damien and Greer, James C. and Povey, Ian M. and MacHale, John and Lejosne, Guaylord and Neumaier, Daniel and Quinn, Aidan J. (2012) Non-Covalent Functionalization of Graphene Using Self-Assembly of Alkane-Amines. Advanced Functional Materials :717-725

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2012

Monofunctionalized gold nanoparticles stabilized by a single dendrimer form dumbbell structures upon homocoupling.

Hermes JP, Sander F, Fluch U, Peterle T, Thompson D, Urbani R, Pfohl T, Mayor M (2012) Monofunctionalized gold nanoparticles stabilized by a single dendrimer form dumbbell structures upon homocoupling.. Journal of the American Chemical Society :14674-14677

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2012

Nanoparticle-based drug delivery: case studies for cancer and cardiovascular applications.

Galvin P, Thompson D, Ryan KB, McCarthy A, Moore AC, Burke CS, Dyson M, Maccraith BD, Gun'ko YK, Byrne MT, Volkov Y, Keely C, Keehan E, Howe M, Duffy C, MacLoughlin R (2012) Nanoparticle-based drug delivery: case studies for cancer and cardiovascular applications.. Cellular and molecular life sciences : CMLS :389-404

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2012

Accommodating curvature in a highly ordered functionalized metal oxide nanofiber: Synthesis, characterization, and multiscale modeling of layered nanosheets

O'Dwyer C.;Gannon G.;McNulty D.;Buckley D.;Thompson D. (2012) Accommodating curvature in a highly ordered functionalized metal oxide nanofiber: Synthesis, characterization, and multiscale modeling of layered nanosheets. Chemistry Of Materials :3981-3992

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2011

Interdigitating Organic Bilayers Direct the Short Inter layer Spacing in Hybrid Organic-Inorganic Layered Vanadium Oxide Nanostructures

Gannon, G; O'Dwyer, C; Larsson, JA; Thompson, D (2011) Interdigitating Organic Bilayers Direct the Short Inter layer Spacing in Hybrid Organic-Inorganic Layered Vanadium Oxide Nanostructures. Journal Of Physical Chemistry B :14518-14525

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2011

Gold nanoparticles stabilized by thioether dendrimers.

Hermes JP, Sander F, Peterle T, Urbani R, Pfohl T, Thompson D, Mayor M (2011) Gold nanoparticles stabilized by thioether dendrimers.. Chemistry (Weinheim an der Bergstrasse, Germany) :13473-13481

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2011

Gradient-driven motion of multivalent ligand molecules along a surface functionalized with multiple receptors.

Perl A, Gomez-Casado A, Thompson D, Dam HH, Jonkheijm P, Reinhoudt DN, Huskens J (2011) Gradient-driven motion of multivalent ligand molecules along a surface functionalized with multiple receptors.. Nature chemistry :317-322

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2011

Electronic structure calculations and physicochemical experiments quantify the competitive liquid ion association and probe stabilisation effects for nitrobenzospiropyran in phosphonium-based ionic liquids.

Thompson D, Coleman S, Diamond D, Byrne R (2011) Electronic structure calculations and physicochemical experiments quantify the competitive liquid ion association and probe stabilisation effects for nitrobenzospiropyran in phosphonium-based ionic liquids.. Physical chemistry chemical physics : PCCP :6156-6168

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2011

Molecular dynamics of the "hydrophobic patch" that immobilizes hydrophobin protein HFBII on silicon.

Moldovan C, Thompson D (2011) Molecular dynamics of the "hydrophobic patch" that immobilizes hydrophobin protein HFBII on silicon.. Journal of molecular modeling :2227-2235

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2011

Linker-mediated assembly of gold nanoparticles into multimeric motifs.

Sikora M, Szymczak P, Thompson D, Cieplak M (2011) Linker-mediated assembly of gold nanoparticles into multimeric motifs.. Nanotechnology

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2010

Interaction of acridine-calix [4] arene with DNA at the electrified liquid| liquid interface

F Kivlehan, M Lefoix, HA Moynihan, D Thompson, VI Ogurtsov, G Herzog, DWM Arrigan (2010) Interaction of acridine-calix [4] arene with DNA at the electrified liquid| liquid interface. Electrochimica Acta :3348-

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2010

Alchemical free energy simulations for biological complexes: powerful but temperamental....

Aleksandrov A, Thompson D, Simonson T (2010) Alchemical free energy simulations for biological complexes: powerful but temperamental..... Journal of molecular recognition : JMR :117-127

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2010

Molecular dynamics study of naturally occurring defects in self-assembled monolayer formation.

Gannon G, Greer JC, Larsson JA, Thompson D (2010) Molecular dynamics study of naturally occurring defects in self-assembled monolayer formation.. Acs Nano :921-932

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2009

Quantification of ink diffusion in microcontact printing with self-assembled monolayers.

Gannon G, Larsson JA, Greer JC, Thompson D (2009) Quantification of ink diffusion in microcontact printing with self-assembled monolayers.. Langmuir :242-247

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2009

Monolayer Packing, Dehydration, and Ink-Binding Dynamics at the Molecular Printboard

Gannon, Greg;Larsson, J. Andreas;Thompson, Damien; (2009) Monolayer Packing, Dehydration, and Ink-Binding Dynamics at the Molecular Printboard. Journal Of Physical Chemistry C

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2009

DESIGN & SYNTHESIS OF NOVEL ELLIPTICINE C-KIT KINASE INHIBITORS

Miller, Charlotte;Thompson, Damien;McCarthy, Florence O.; (2009) DESIGN & SYNTHESIS OF NOVEL ELLIPTICINE C-KIT KINASE INHIBITORS. Drugs Of The Future

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2009

Engineering enzyme:substrate specificity: From free energy simulations to computational protein design

Simonson, Thomas;Thompson, Damien;Lopes, Anne; (2009) Engineering enzyme:substrate specificity: From free energy simulations to computational protein design. Abstracts Of Papers Of The American Chemical Society

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2009

Monolayer Packing, Dehydration, and Ink-Binding Dynamics at the Molecular Printboard

Gannon, Greg,Larsson, J. Andreas,Thompson, Damien (2009) Monolayer Packing, Dehydration, and Ink-Binding Dynamics at the Molecular Printboard. : American Chemical Society The Journal of Physical Chemistry C :7298-7304

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2008

Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks

Cieplak, Marek;Thompson, Damien; (2008) Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks. Chemical Physics

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2008

Guanidinium chloride molecular diffusion in aqueous and mixed water-ethanol solutions.

Gannon G, Larsson JA, Greer JC, Thompson D (2008) Guanidinium chloride molecular diffusion in aqueous and mixed water-ethanol solutions.. The journal of physical chemistry. B :8906-8911

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2008

Computer Simulations Reveal a Novel Nucleotide-Type Binding Orientation for Ellipticine-Based Anticancer c-kit Kinase Inhibitorsâ€

Thompson, Damien,Miller, Charlotte,McCarthy, Florence O. (2008) Computer Simulations Reveal a Novel Nucleotide-Type Binding Orientation for Ellipticine-Based Anticancer c-kit Kinase Inhibitors†. : American Chemical Society Biochemistry :10333-10344

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2008

Probing electrostatic interactions and ligand binding in aspartyl-tRNA synthetase through site-directed mutagenesis and computer simulations.

Thompson D, Lazennec C, Plateau P, Simonson T (2008) Probing electrostatic interactions and ligand binding in aspartyl-tRNA synthetase through site-directed mutagenesis and computer simulations.. Proteins-Structure Function And Bioinformatics :1450-1460

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2008

Hydrocarbon Selective Oxidation on Vanadium Phosphorus Oxide Catalysts: Insights from Electronic Structure Calculations

Thompson, D; Hodnett, BK (2008) Hydrocarbon Selective Oxidation on Vanadium Phosphorus Oxide Catalysts: Insights from Electronic Structure Calculations. Topics In Catalysis :116-123

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2008

The Effective Concentration of Unbound Ink Anchors at the Molecular Printboard

Thompson, D. (2008) The Effective Concentration of Unbound Ink Anchors at the Molecular Printboard. : American Chemical Society The Journal of Physical Chemistry B :4994-4999

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2008

Computer simulations reveal a novel nucleotide-type binding orientation for ellipticine-based anticancer c-kit kinase inhibitors.

Thompson D, Miller C, McCarthy FO (2008) Computer simulations reveal a novel nucleotide-type binding orientation for ellipticine-based anticancer c-kit kinase inhibitors.. Biochemistry :10333-10344

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2008

Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks

Cieplak, Marek and Thompson, Damien (2008) Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks. The Journal of Chemical Physics

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2008

The effective concentration of unbound ink anchors at the molecular printboard.

Thompson D (2008) The effective concentration of unbound ink anchors at the molecular printboard.. The journal of physical chemistry. B :4994-4999

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2007

Ammonium scanning in an enzyme active site. The chiral specificity of aspartyl-tRNA synthetase.

Thompson D, Lazennec C, Plateau P, Simonson T (2007) Ammonium scanning in an enzyme active site. The chiral specificity of aspartyl-tRNA synthetase.. The Journal of biological chemistry :30856-30868

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2007

In silico engineering of tailored ink-binding ability at molecular printboards.

Thompson D (2007) In silico engineering of tailored ink-binding ability at molecular printboards.. Chemphyschem :1684-1693

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2007

Free energy balance predicates dendrimer binding multivalency at molecular printboards.

Thompson D (2007) Free energy balance predicates dendrimer binding multivalency at molecular printboards.. Langmuir :8441-8451

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2006

Free-energy simulations and experiments reveal long-range electrostatic interactions and substrate-assisted specificity in an aminoacyl-tRNA synthetase.

Thompson D, Plateau P, Simonson T (2006) Free-energy simulations and experiments reveal long-range electrostatic interactions and substrate-assisted specificity in an aminoacyl-tRNA synthetase.. Chembiochem :337-344

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2006

Molecular dynamics simulations show that bound Mg2+ contributes to amino acid and aminoacyl adenylate binding specificity in aspartyl-tRNA synthetase through long range electrostatic interactions.

Thompson D, Simonson T (2006) Molecular dynamics simulations show that bound Mg2+ contributes to amino acid and aminoacyl adenylate binding specificity in aspartyl-tRNA synthetase through long range electrostatic interactions.. The Journal of biological chemistry :23792-23803

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2006

Modeling competitive guest binding to beta-cyclodextrin molecular printboards.

Thompson D, Larsson JA (2006) Modeling competitive guest binding to beta-cyclodextrin molecular printboards.. The journal of physical chemistry. B :16640-16645

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2004

Electronic structure of the extended vanadyl pyrophosphate (1&#xa0;0&#xa0;0) surface

Thompson, D.J,Ciobı̂cǎ, I.M,Hodnett, B.K,van Santen, R.A,Fanning, M.O (2004) Electronic structure of the extended vanadyl pyrophosphate (1&#xa0;0&#xa0;0) surface. Catalysis Today :177-180

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2003

A DFT periodic study of the vanadyl pyrophosphate (1&#xa0;0&#xa0;0) surface

Thompson, D.J,Ciobı̂că, I.M,Hodnett, B.K,van Santen, R.A,Fanning, M.O (2003) A DFT periodic study of the vanadyl pyrophosphate (1&#xa0;0&#xa0;0) surface. Surface Science :438-451

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2003

The interplay of electrostatic and covalent effects in 1-butene oxidation over vanadyl pyrophosphate

Thompson, D.J,Fanning, M.O,Hodnett, B.K (2003) The interplay of electrostatic and covalent effects in 1-butene oxidation over vanadyl pyrophosphate. Journal of Molecular Catalysis A: Chemical :435-439

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2003

Modelling the active sites in vanadyl pyrophosphate

Thompson, D.J.,Fanning, M.O.,Hodnett, B.K. (2003) Modelling the active sites in vanadyl pyrophosphate. Journal of Molecular Catalysis A: Chemical :125-137

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2003

Modelling the active sites in vanadyl pyrophosphate

Thompson D.;Fanning M.;Hodnett B. (2003) Modelling the active sites in vanadyl pyrophosphate. Journal Of Molecular Catalysis A-Chemical :125-137

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Books

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Book Chapters

2014

Frontiers of Cu Electrodeposition and Electroless Plating for On-chip Interconnects

James F. Rohan and Damien Thompson (2014) Frontiers of Cu Electrodeposition and Electroless Plating for On-chip Interconnects. New York : Springer Copper Electrodeposition for Nanofabrication of Electronics Devices :99-113

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Edited Books

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Other Journals

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Conference Publications

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Conference Contributions

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Published Reports

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Editorials

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Book Reviews

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