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Roux, Benoit
One or more keywords matched the following items that are connected to Roux, Benoit
Item TypeName
Concept Water
Academic Article Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer.
Academic Article Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel.
Academic Article Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water.
Academic Article The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.
Academic Article Simulation analysis of the retinal conformational equilibrium in dark-adapted bacteriorhodopsin.
Academic Article Structure and dynamics of an amphiphilic peptide in a lipid bilayer: a molecular dynamics study.
Academic Article Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules.
Academic Article Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy.
Academic Article Functional interactions in bacteriorhodopsin: a theoretical analysis of retinal hydrogen bonding with water.
Academic Article Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer.
Academic Article Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study.
Academic Article Proton wires are different.
Academic Article Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theory.
Academic Article Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field.
Academic Article Molecular dynamics study of calbindin D9k in the apo and singly and doubly calcium-loaded states.
Academic Article Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating.
Academic Article The Solvation Structure of Na(+) and K(+) in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations.
Grant Polarizable Force Field for Proteins and Lipids
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