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Roux, Benoit

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

Item Type	Name
Concept	Models, Molecular
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	High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints.
Academic Article	Lipid-mediated interactions between intrinsic membrane proteins: a theoretical study based on integral equations.
Academic Article	Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane.
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	Energetics of ion conduction through the K+ channel.
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	Anchoring of a monotopic membrane protein: the binding of prostaglandin H2 synthase-1 to the surface of a phospholipid bilayer.
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	What can be deduced about the structure of Shaker from available data?
Academic Article	Local deformations revealed by dynamics simulations of DNA polymerase Beta with DNA mismatches at the primer terminus.
Academic Article	Atomic proximity between S4 segment and pore domain in Shaker potassium channels.
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	Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories.
Academic Article	The normal modes of the gramicidin-A dimer channel.
Academic Article	Functional interactions in bacteriorhodopsin: a theoretical analysis of retinal hydrogen bonding with water.
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	Imaging the electrostatic potential of transmembrane channels: atomic probe microscopy of OmpF porin.
Academic Article	Structure of gramicidin a in a lipid bilayer environment determined using molecular dynamics simulations and solid-state NMR data.
Academic Article	Structural dynamics of the magnesium-bound conformation of CorA in a lipid bilayer.
Academic Article	Molecular dynamics simulations of the gramicidin channel.
Academic Article	Fine mapping of neutralization epitopes on duck hepatitis B virus (DHBV) pre-S protein using monoclonal antibodies and overlapping peptides.
Academic Article	Configurational distribution of denatured phosphoglycerate kinase.
Academic Article	Ion binding sites and their representations by reduced models.
Academic Article	Molecular dynamics study of calbindin D9k in the apo and singly and doubly calcium-loaded states.
Academic Article	Structure and dynamics of bacteriorhodopsin. Comparison of simulation and experiment.
Academic Article	Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating.
Academic Article	Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations.
Academic Article	Ion channels and ion selectivity.

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