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Publications by Benoît Roux
Enhanced Sampling of an Atomic Model With Hybrid Nonequilibrium Molecular Dynamics—Monte Carlo Simulations Guided by a Coarse-Grained Model
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Kirkwood-Buff Analysis of Aqueous N-Methylacetamide and Acetamide Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Ion Binding Sites and Their Representations by Reduced Models
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software
Multifrequency Electron Spin Resonance Spectra of a Spin-Labeled Protein Calculated From Molecular Dynamics Simulations
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
The Free Energy Landscapes Governing Conformational Changes in a Glutamate Receptor Ligand-Binding Domain
Structure
Structural Biology
Molecular Biology
Structure and Electrostatic Property of Cytoplasmic Domain of ZntB Transporter
Protein Science
Biochemistry
Medicine
Molecular Biology
A Structural Model for K2Ppotassium Channels Based on 23 Pairs of Interacting Sites and Continuum Electrostatics
Journal of General Physiology
Physiology
Ion Permeation Through the Α-Hemolysin Channel: Theoretical Studies Based on Brownian Dynamics and Poisson-Nernst-Plank Electrodiffusion Theory
Biophysical Journal
Biophysics
A Rapid Coarse Residue-Based Computational Method for X-Ray Solution Scattering Characterization of Protein Folds and Multiple Conformational States of Large Protein Complexes
Biophysical Journal
Biophysics
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