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Lista de obras de 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.

artículo científico publicado en 2018

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

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

artículo científico publicado en 2008

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

artículo científico publicado en 2016

Binding properties of the quaternary assembly protein SPAG1

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

Deciphering the photosensitization mechanisms of hypericin towards biological membranes.

artículo científico publicado en 2017

Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations

artículo científico publicado en 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

artículo científico publicado en 2017

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

artículo científico publicado en 2013

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

artículo científico publicado en 2018

Energetics of ion transport in a peptide nanotube

artículo científico publicado en 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.

artículo científico publicado en 2009

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

artículo científico publicado en 2018

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

artículo científico publicado en 2012

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

artículo científico publicado en 2005

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

artículo científico publicado en 2019

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

artículo científico publicado en 2017

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

artículo científico publicado en 2007

Modeling Membranes under a Transmembrane Potential

artículo científico publicado en 2008

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

artículo científico publicado en 2003

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

artículo científico publicado en 2018

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

artículo científico publicado el 1 de enero de 2009

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

artículo científico publicado en 2003

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

artículo científico publicado en 2016

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

artículo científico publicado en 2010

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

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 2016

Unidirectional rotation in a mechanically interlocked molecular rotor

scientific article published in Nature

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