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Roux, Benoit
One or more keywords matched the following items that are connected to Roux, Benoit
Item TypeName
Concept Models, Chemical
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 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 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 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 CHARMM: the biomolecular simulation program.
Academic Article Functional interactions in bacteriorhodopsin: a theoretical analysis of retinal hydrogen bonding with water.
Academic Article Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study.
Academic Article Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theory.
Academic Article Computer simulations of the flexibility of a series of synthetic cyclic peptide analogues.
Academic Article Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations.
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  • Models Chemical