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Roux, Benoit
One or more keywords matched the following items that are connected to
Roux, Benoit
Item Type
Name
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.
Grant
Polarizable Force Field for Proteins and Lipids
Grant
Beagle-3: A Shared GPU Cluster for Biomolecular Sciences
Grant
Conformational Dynamics of Src-Kinases and Inhibition
Search Criteria
Molecular Dynamics Simulation