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Physical Chemistry Chemical Physics : PCCP|May 10, 2022
Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modesLionel Foulon, Anne Hémeryck, Georges Landa, et al.The Journal of Physical Chemistry. B|February 27, 2014
Toward in silico biomolecular manipulation through static modes: atomic scale characterization of HIV-1 protease flexibilityMarie Brut, Alain Estève, Georges Landa, et al.Molecules (Basel, Switzerland)|October 29, 2025
Deciphering the Impact of Mutations on <i>Pf</i>DHPS Active Site and Sulfadoxine Binding: Structural Insights from Molecular Dynamics SimulationsEmilie Guémas, Sandie Ménard, Nicolas Jeanne, et al.The Journal of Physical Chemistry. B|February 4, 2011
Atomic scale determination of enzyme flexibility and active site stability through static modes: case of dihydrofolate reductaseMarie Brut, Alain Estève, Georges Landa, et al.Physical Chemistry Chemical Physics : PCCP|July 12, 2011
The electrostatic probe: a tool for the investigation of the Aβ(1-16) peptide deformations using the static modesGuillaume Renvez, Alain Estève, Georges Landa, et al.Biophysical Journal|September 19, 2018
Water Distribution within Wild-Type NRas Protein and Q61 Mutants during Unrestrained QM/MM DynamicsRuth H Tichauer, Gilles Favre, Stéphanie Cabantous, et al.The Journal of Chemical Physics|May 23, 2016
A perfect wetting of Mg monolayer on Ag(111) under atomic scale investigation: First principles calculations, scanning tunneling microscopy, and Auger spectroscopyAmani Migaou, Brice Sarpi, Mathilde Guiltat, et al.Journal of Computational Chemistry|November 22, 2011
A computational chemist approach to gas sensors: modeling the response of SnO2 to CO, O2, and H2O gasesJean-Marie Ducéré, Anne Hemeryck, Alain Estève, et al.Journal of Chemical Theory and Computation|August 16, 2020
Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String ApproachesAntoine Jay, Christophe Huet, Nicolas Salles, et al.Pageof 1