Benoit Roux
0000-0002-5254-2712
5 papers found
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Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids
Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel
CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations
Scalable molecular dynamics on CPU and GPU architectures with NAMD
The selectivity of the Na+/K+-pump is controlled by binding site protonation and self-correcting occlusion
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