Damien Thompson


Contact Details

Full Professor
Dept of Physics, University of Limerick
T: +353-61-237734
E: damien.thompson@ul.ie
https://bernalinstitute.com/our_people/damien-thompson
 
researcher

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

Book Chapters

  Year Publication
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' In: Copper Electrodeposition for Nanofabrication of Electronics Devices. New York: Springer. [DOI] [Details]

Peer Reviewed Journals

  Year Publication
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'. Journal of colloid and interface science, 607 :978-991 [DOI] [Details]
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'. Crystengcomm, 24 :698-710 [DOI] [Details]
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, [DOI] [ULIR Link] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, 601 [DOI] [Details]
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, 13 (7) [DOI] [Details]
2021 'Restriction boosts piezoelectricity'
Guerin S;Thompson D; (2021) 'Restriction boosts piezoelectricity'. Nature materials, [DOI] [Details]
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, 7 (45) [DOI] [ULIR Link] [Details]
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'. Advanced Functional Materials, 31 [DOI] [Details]
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'. Crystal Growth & Design, 21 :5818-5827 [DOI] [Details]
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'. Nature Communications, 12 [DOI] [Details]
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'. Nature, 597 [DOI] [Details]
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'. Journal Of Applied Physics, 129 [DOI] [Details]
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'. Journal Of Physical Chemistry C, 125 :18474-18482 [DOI] [Details]
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, 19 [DOI] [Details]
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, [DOI] [ULIR Link] [Details]
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, 5 (2):511-520 [DOI] [ULIR Link] [Details]
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, 32 (46) [DOI] [Details]
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, 14 (6):7025-7037 [DOI] [Details]
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, [DOI] [Details]
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, 21 [DOI] [Details]
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, 14 (8):10704-10715 [DOI] [ULIR Link] [Details]
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, [DOI] [Details]
2020 'Complete aggregation pathway of amyloid ß (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 ß (1-40) and (1-42) resolved on an atomically clean interface'. Science Advances, 6 (15) [DOI] [ULIR Link] [Details]
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, 10 (1) [DOI] [ULIR Link] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, 13 (1):96-101 [DOI] [Details]
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, 109 [DOI] [ULIR Link] [Details]
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, [DOI] [Details]
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, 311 :92-102 [DOI] [Details]
2019 'Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-ß42 and ¿-synuclein'
Bhattacharya S.;Xu L.;Thompson D. (2019) 'Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-ß42 and ¿-synuclein'. Acs Chemical Neuroscience, [DOI] [Details]
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, [DOI] [Details]
2019 'Self-Assembled Cationic ß-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 ß-Cyclodextrin Nanostructures for siRNA Delivery'. Molecular Pharmaceutics, [DOI] [Details]
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, [DOI] [Details]
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'. Physical Review Letters, 122 [DOI] [ULIR Link] [Details]
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, 10 (6):2830-2842 [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, 1 (5):1991-2002 [DOI] [Details]
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, 25 (3):803-807 [DOI] [Details]
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, [DOI] [Details]
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'. Physical Chemistry Chemical Physics, 20 :28445-28451 [DOI] [Details]
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'. Physical Chemistry Chemical Physics, 20 :22674-22680 [DOI] [Details]
2018 'Longitudinal Piezoelectricity in Orthorhombic Amino Acid Crystal Films'
Guerin, S;Tofail, SAM;Thompson, D (2018) 'Longitudinal Piezoelectricity in Orthorhombic Amino Acid Crystal Films'. Crystal Growth & Design, 18 :4844-4848 [DOI] [Details]
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'. Nanoscale, 10 :9653-9663 [DOI] [Details]
2018 'Re-designing the alpha-synuclein tetramer'
Xu, L;Bhattacharya, S;Thompson, D (2018) 'Re-designing the alpha-synuclein tetramer'. Chemical Communications, 54 :8080-8083 [DOI] [Details]
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)'. Journal Of Physical Chemistry C, 122 :8430-8436 [DOI] [Details]
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'. Scientific Reports, 8 [DOI] [Details]
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, 20 :8278-8293 [DOI] [Details]
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, 2 [DOI] [Details]
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, 30 [DOI] [Details]
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, 20 :4502-4512 [DOI] [Details]
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, 17 [DOI] [Details]
2018 'Re-designing the $\alpha$-synuclein tetramer'
Xu, Liang and Bhattacharya, Shayon and Thompson, Damien (2018) 'Re-designing the $\alpha$-synuclein tetramer'. Chemical communications, 54 (58):8080-8083 [Details]
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, 8 (4) [Details]
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, 20 (6):4502-4512 [Details]
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, [DOI] [Details]
2018 'Stable Molecular Diodes Based on π–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 π–π Interactions of the Molecular Frontier Orbitals with Graphene Electrodes'. Journal Of Advanced Materials, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
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, [DOI] [Details]
2018 'Re-designing the α-synuclein tetramer'
Liang Xu;Shayon Bhattacharya;Damien Thompson; (2018) 'Re-designing the α-synuclein tetramer'. Chemical Communications, [DOI] [Details]
2018 'Molecular simulations reveal that a short helical loop regulates thermal stability of type I cohesin–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 cohesin–dockerin complexes'. Physical Chemistry Chemical Physics, [DOI] [Details]
2018 'The laterally acquired GH5 ZgEngAGH5_4 from the marine bacterium Zobellia galactanivorans is dedicated to hemicellulose hydrolysis'
Dorival J.;Ruppert S.;Gunnoo M.;Or¿owski A.;Chapelais-Baron M.;Dabin J.;Labourel A.;Thompson D.;Michel G.;Czjzek M.;Genicot S. (2018) 'The laterally acquired GH5 ZgEngAGH5_4 from the marine bacterium Zobellia galactanivorans is dedicated to hemicellulose hydrolysis'. Biochemical Journal, 475 (22):3609-3628 [DOI] [Details]
2017 'Molecular diodes with rectification ratios exceeding 105 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 105 driven by electrostatic interactions'. Nature nanotechnology, 12 (8):797-803 [DOI] [Details]
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, 11 :9068-9083 [DOI] [Details]
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, 147 [DOI] [Details]
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, 19 :21414-21425 [DOI] [Details]
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, 12 :797-803 [DOI] [Details]
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, 9 :25014-25022 [DOI] [Details]
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, 8 :837-849 [DOI] [Details]
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, 9 :7897-7902 [DOI] [Details]
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, 121 :4172-4180 [DOI] [Details]
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, [DOI] [Details]
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, [Details]
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, [Details]
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, 6 [DOI] [Details]
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, 28 :631-639 [DOI] [Details]
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, 7 [DOI] [Details]
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, 49 (10):2061-2069 [DOI] [Details]
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, [DOI] [Details]
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, 15 :6643-6649 [DOI] [Details]
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, 5 [DOI] [Details]
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, 119 :19438-19451 [DOI] [Details]
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, 119 :21978-21991 [DOI] [Details]
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, 6 [DOI] [Details]
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, 119 :24404-24416 [DOI] [Details]
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, 119 :27982-27994 [DOI] [Details]
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, 119 :17910-17919 [DOI] [Details]
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, 437 :197-204 [DOI] [Details]
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, 13 (10):947-953 [DOI] [Details]
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, 136 :6554-6557 [DOI] [Details]
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, 13 :947-953 [DOI] [Details]
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, 141 [DOI] [Details]
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, 623 :55-63 [DOI] [Details]
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, [DOI] [Details]
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, 24 (20):3981-3992 [DOI] [Details]
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, [Details]
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, [Details]
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, [DOI] [Details]
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, 112 (16):4994-4999 [DOI] [Details]
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, [DOI] [Details]
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, 47 (39):10333-10344 [DOI] [Details]
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, 198 (1-2):125-137 [DOI] [Details]
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, 136 (18):6554-6557 [DOI] [Details]
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, 437C :197-204 [DOI] [Details]
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, 623 (0):55-63 [DOI] [Details]
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, 8 (2):113-118 [DOI] [Details]
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, 1 :5675-5684 [DOI] [Details]
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, 29 (24):7271-7282 [DOI] [Details]
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, 15 (21):8132-8143 [DOI] [Details]
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, 69 (3):389-404 [DOI] [Details]
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, 6 (4):3007-3017 [DOI] [Details]
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, 134 (36):14674-14677 [DOI] [Details]
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'. Chemistry of Materials, 24 (20):3981-3992 [Details]
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, 22 (4):717-725 [DOI] [Details]
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, 17 (9):2227-2235 [DOI] [Details]
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, 115 :14518-14525 [DOI] [Details]
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, 13 (13):6156-6168 [DOI] [Details]
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, 22 (44) [DOI] [Details]
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, 3 (4):317-322 [DOI] [Details]
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), 17 (48):13473-13481 [DOI] [Details]
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, 23 (2):117-127 [DOI] [Details]
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, 55 [DOI] [Details]
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, 4 (2):921-932 [DOI] [Details]
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'. The Journal of Physical Chemistry C, 113 (17):7298-7304 [Details]
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, 25 (1):242-247 [DOI] [Details]
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, 50 (1-4):116-123 [DOI] [Details]
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, 112 (16):4994-4999 [Details]
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, 112 (30):8906-8911 [DOI] [Details]
2008 'Computer Simulations Reveal a Novel Nucleotide-Type Binding Orientation for Ellipticine-Based Anticancer c-kit Kinase Inhibitors†'
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†'. Biochemistry, 47 (39):10333-10344 [Details]
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, 128 (23) [DOI] [Details]
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, 71 (3):1450-1460 [DOI] [Details]
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, 8 (11):1684-1693 [DOI] [Details]
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, 23 (16):8441-8451 [DOI] [Details]
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, 282 (42):30856-30868 [DOI] [Details]
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, 7 (2):337-344 [DOI] [Details]
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, 281 (33):23792-23803 [DOI] [Details]
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, 110 (33):16640-16645 [DOI] [Details]
2004 'Electronic structure of the extended vanadyl pyrophosphate (1 0 0) surface'
Thompson, D.J,Ciobı̂cÇŽ, I.M,Hodnett, B.K,van Santen, R.A,Fanning, M.O (2004) 'Electronic structure of the extended vanadyl pyrophosphate (1 0 0) surface'. Catalysis Today, 91–92 (0):177-180 [Details]
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, 206 (1–2):435-439 [Details]
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, 198 (1–2):125-137 [Details]
2003 'A DFT periodic study of the vanadyl pyrophosphate (1 0 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 0 0) surface'. Surface Science, 547 (3):438-451 [Details]