List of works - Damien Thompson

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

scientific article

A robust molecular probe for Ångstrom-scale analytics in liquids

scientific article

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

scientific article published on March 2010

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

scientific article published on 9 August 2007

Bioinspired Stable and Photoluminescent Assemblies for Power Generation

scientific article published on 01 February 2019

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

scientific article

Charge disproportionate molecular redox for discrete memristive and memcapacitive switching

scientific article published on 23 March 2020

Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks

scientific article

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

scientific article published on 08 April 2020

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

scientific article published on 29 August 2008

Control of piezoelectricity in amino acids by supramolecular packing.

scientific article published on 4 December 2017

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

scientific article published on 29 August 2017

Controlling the direction of rectification in a molecular diode.

scientific article

Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks

scientific article published on 01 May 2018

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

scientific article published on 01 June 2020

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

scientific article published on 24 February 2011

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

scientific article

Familial Mutations May Switch Conformational Preferences in α-Synuclein Fibrils

scientific article published on 11 January 2017

Fingerprinting Electronic Molecular Complexes in Liquid

scientific article

Free energy balance predicates dendrimer binding multivalency at molecular printboards

scientific article published on 04 July 2007

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

scientific article published in February 2006

Gold nanoparticles stabilized by thioether dendrimers

scientific article published on 26 October 2011

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

scientific article published on 06 March 2011

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

scientific article

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

scientific article published in August 2007

Interdigitating organic bilayers direct the short interlayer spacing in hybrid organic-inorganic layered vanadium oxide nanostructures

scientific article published on 14 November 2011

Linker-mediated assembly of gold nanoparticles into multimeric motifs

scientific article published on 7 October 2011

Long-range Regulation of Partially Folded Amyloidogenic Peptides

scientific article published on 05 May 2020

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

scientific article

Modeling competitive guest binding to beta-cyclodextrin molecular printboards

scientific article published on 01 August 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

scientific article published in Journal of Biological Chemistry

Molecular Simulations Reveal Terminal Group Mediated Stabilization of Helical Conformers in Both Amyloid-β42 and α-Synuclein

scientific article published on 05 April 2019

Molecular diodes with rectification ratios exceeding 105 driven by electrostatic interactions

scientific article published on 03 July 2017

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

scientific article published on 01 September 2011

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

scientific article published in February 2010

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

scientific article published on 01 November 2018

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

scientific article published on 28 August 2012

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

scientific article

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

scientific article published on 17 August 2014

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

scientific article published on 21 October 2011

Nanoscale Engineering of Designer Cellulosomes

scientific article published on 7 January 2016

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

scientific article published on 24 January 2013

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

scientific article

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

scientific article published on 30 November 2015

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

scientific article published on 12 March 2018

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

scientific article published on 22 April 2014

One-Nanometer Thin Monolayers Remove the Deleterious Effect of Substrate Defects in Molecular Tunnel Junctions.

scientific article published on 4 September 2015

Ordering of Air-Oxidized Decanethiols on Au(111).

scientific article published on 26 March 2018

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

scientific article published on 01 February 2019

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

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

scientific article published in May 2008

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

scientific article

Racemic Amino Acid Piezoelectric Transducer

scientific article published on 01 February 2019

Re-designing the α-synuclein tetramer

scientific article published on 01 July 2018

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

scientific article

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

scientific article published on 23 March 2012

Self-Assembled Cationic β-Cyclodextrin Nanostructures for siRNA Delivery

scientific article published on 19 February 2019

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

scientific article published on 22 January 2018

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

scientific article published on 01 September 2018

Subcellular Imaging of Liquid Silicone Coated-Intestinal Epithelial Cells

scientific article published in Scientific Reports

The effective concentration of unbound ink anchors at the molecular printboard

scientific article published on 02 April 2008

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.

scientific article

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

scientific article published on 06 January 2013

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

scientific article published on 06 August 2020

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

scientific article published on 01 February 2019

List of works by Damien Thompson

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

A robust molecular probe for Ångstrom-scale analytics in liquids

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

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

Bioinspired Stable and Photoluminescent Assemblies for Power Generation

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

Charge disproportionate molecular redox for discrete memristive and memcapacitive switching

Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks

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

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

Control of piezoelectricity in amino acids by supramolecular packing.

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

Controlling the direction of rectification in a molecular diode.

Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks

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

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

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

Familial Mutations May Switch Conformational Preferences in α-Synuclein Fibrils

Fingerprinting Electronic Molecular Complexes in Liquid

Free energy balance predicates dendrimer binding multivalency at molecular printboards

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

Gold nanoparticles stabilized by thioether dendrimers

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

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

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

Interdigitating organic bilayers direct the short interlayer spacing in hybrid organic-inorganic layered vanadium oxide nanostructures

Linker-mediated assembly of gold nanoparticles into multimeric motifs

Long-range Regulation of Partially Folded Amyloidogenic Peptides

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

Modeling competitive guest binding to beta-cyclodextrin molecular printboards

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

Molecular Simulations Reveal Terminal Group Mediated Stabilization of Helical Conformers in Both Amyloid-β42 and α-Synuclein

Molecular diodes with rectification ratios exceeding 105 driven by electrostatic interactions

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

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

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

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

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

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

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

Nanoscale Engineering of Designer Cellulosomes

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

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

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

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

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

One-Nanometer Thin Monolayers Remove the Deleterious Effect of Substrate Defects in Molecular Tunnel Junctions.

Ordering of Air-Oxidized Decanethiols on Au(111).

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

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

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

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

Racemic Amino Acid Piezoelectric Transducer

Re-designing the α-synuclein tetramer

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

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

Self-Assembled Cationic β-Cyclodextrin Nanostructures for siRNA Delivery

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

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

Subcellular Imaging of Liquid Silicone Coated-Intestinal Epithelial Cells

The effective concentration of unbound ink anchors at the molecular printboard

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.

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

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

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