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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 Molecular Dynamics Simulation
Academic Article The binding site of sodium in the gramicidin A channel: comparison of molecular dynamics with solid-state NMR data.
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 Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study.
Academic Article Structure and dynamics of an amphiphilic peptide in a lipid bilayer: a molecular dynamics study.
Academic Article Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane.
Academic Article A combined molecular dynamics and diffusion model of single proton conduction through gramicidin.
Academic Article Molecular dynamics of the KcsA K(+) channel in a bilayer membrane.
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 Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels.
Academic Article Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories.
Academic Article Multi-ion distributions in the cytoplasmic domain of inward rectifier potassium channels.
Academic Article Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy.
Academic Article Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer.
Academic Article A molecular dynamics study of gating in dioxolane-linked gramicidin A channels.
Academic Article Perspectives on: molecular dynamics and computational methods.
Academic Article Nano-positioning system for structural analysis of functional homomeric proteins in multiple conformations.
Academic Article Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study.
Academic Article Molecular dynamics simulations of ion channels: how far have we gone and where are we heading?
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 Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detail.
Academic Article On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method.
Academic Article Exploring the ion selectivity properties of a large number of simplified binding site models.
Academic Article Molecular dynamics study of calbindin D9k in the apo and singly and doubly calcium-loaded states.
Academic Article Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron-electron resonance spectroscopy.
Academic Article The Solvation Structure of Na(+) and K(+) in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations.
Academic Article Ion channels and ion selectivity.
Academic Article Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field.

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  • Molecular Dynamics Simulation