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Search Results to Benoit Roux

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One or more keywords matched the following items that are connected to Roux, Benoit

Item TypeName
Concept Computer Simulation
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 Influence of the membrane potential on the free energy of an intrinsic protein.
Academic Article Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study.
Academic Article Dynamic coupling between the SH2 and SH3 domains of c-Src and Hck underlies their inactivation by C-terminal tyrosine phosphorylation.
Academic Article Ion transport in a model gramicidin channel. Structure and thermodynamics.
Academic Article Statistical mechanical equilibrium theory of selective ion channels.
Academic Article A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
Academic Article Molecular dynamics of the KcsA K(+) channel in a bilayer membrane.
Academic Article Lipid-mediated interactions between intrinsic membrane proteins: dependence on protein size and lipid composition.
Academic Article Extracellular blockade of K(+) channels by TEA: results from molecular dynamics simulations of the KcsA channel.
Academic Article Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields.
Academic Article On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation.
Academic Article Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels.
Academic Article CHARMM: the biomolecular simulation program.
Academic Article Nanosculpting reversed wavelength sensitivity into a photoswitchable iGluR.
Academic Article Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy.
Academic Article Perspectives on: molecular dynamics and computational methods.
Academic Article Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study.
Academic Article Structure of gramicidin a in a lipid bilayer environment determined using molecular dynamics simulations and solid-state NMR data.
Academic Article Molecular dynamics simulations of the gramicidin channel.
Academic Article Configurational distribution of denatured phosphoglycerate kinase.
Academic Article Protein inclusion in lipid membranes: a theory based on the hypernetted chain integral equation.
Academic Article The membrane potential and its representation by a constant electric field in computer simulations.
Academic Article Computer simulations of the flexibility of a series of synthetic cyclic peptide analogues.
Academic Article Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating.

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