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List of works by François Dehez

A Toolkit for the Analysis of Free-Energy Perturbation Calculations

scientific article published on 31 July 2012

Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA.

scientific article published on 25 January 2018

AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations

scientific article published on 23 May 2016

An 'open' structure of the RecOR complex supports ssDNA binding within the core of the complex

scientific article

An ab initio strategy for handling induction phenomena in metal ion complexes

scientific article published in June 2008

Assessing the physiological relevance of alternate architectures of the p7 protein of hepatitis C virus in different environments.

scientific article published on 29 July 2016

Binding properties of the quaternary assembly protein SPAG1

scientific article published on 14 June 2019

Changes in Microenvironment Modulate the B- to A-DNA Transition

scientific article published on 28 February 2019

Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I

scientific article published on 29 April 2020

Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions

scientific article published on 01 September 2018

Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates

scientific article

Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion

scientific article published on September 2016

Dangerous liaisons between detergents and membrane proteins. The case of mitochondrial uncoupling protein 2.

scientific article published on 26 September 2013

Deciphering the photosensitization mechanisms of hypericin towards biological membranes.

scientific article published on 18 August 2017

Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations

scientific article published on 29 September 2007

Dynamics and interactions of AAC3 in DPC are not functionally relevant

scholarly article by Vilius Kurauskas published in September 2018

Effect of Meso vs Macro Size of Hierarchical Porous Silica on the Adsorption and Activity of Immobilized β-Galactosidase

scientific article published on 16 March 2017

Effects of Phospholipid Composition on the Transfer of a Small Cationic Peptide Across a Model Biological Membrane

scientific article published on 23 November 2013

Effects of hydration on the protonation state of a lysine analog crossing a phospholipid bilayer - insights from molecular dynamics and free-energy calculations

scientific article published on 01 April 2018

Energetics of ion transport in a peptide nanotube

scientific article published on 18 August 2007

Enthalpy-Entropy Interplay in π-Stacking Interaction of Benzene Dimer in Water

scientific article published on 20 February 2019

Entropy-Driven Translational Isomerism: A Tristable Molecular Shuttle

scientific article published on 01 January 2003

High-chloride concentrations abolish the binding of adenine nucleotides in the mitochondrial ADP/ATP carrier family.

scientific article

How Detergent Impacts Membrane Proteins: Atomic-Level Views of Mitochondrial Carriers in Dodecylphosphocholine

scientific article published on 3 February 2018

Impaired Transport of Nucleotides in a Mitochondrial Carrier Explains Severe Human Genetic Diseases

scientific article published on 20 April 2012

Long-range electrostatic interactions in hybrid quantum and molecular mechanical dynamics using a lattice summation approach

scientific article published in June 2005

Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors

scientific article published on 04 September 2019

Mitochondrial ADP/ATP Carrier in Dodecylphosphocholine Binds Cardiolipins with Non-native Affinity

scientific article published on 20 October 2017

Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field

scientific article published on 6 October 2007

Modeling Membranes under a Transmembrane Potential

scientific article published on 16 April 2008

OPEP: a tool for the optimal partitioning of electric properties.

scientific article

Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies.

scientific article

Polarizable Intermolecular Potentials for Water and Benzene Interacting with Halide and Metal Ions ⬇️

scientific article published on January 1, 2009

Remarkable Positional Discrimination in Bistable Light- and Heat-Switchable Hydrogen-Bonded Molecular Shuttles

scientific article published on 01 May 2003

Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity.

scientific article published on 9 September 2016

Solubilities inferred from the combination of experiment and simulation. Case study of quercetin in a variety of solvents.

scientific article published on September 2010

Structural and energetic study of cation-π-cation interactions in proteins

scientific article published on 29 March 2017

The substrate specificity of the human ADP/ATP carrier AAC1.

scientific article published on 23 November 2012

The three Endonuclease III variants of Deinococcus radiodurans possess distinct and complementary DNA repair activities

scholarly article

Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations

scientific article published on 28 November 2016

Unidirectional rotation in a mechanically interlocked molecular rotor

scientific article published in Nature

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