Benoit Roux to Computer Simulation
This is a "connection" page, showing publications Benoit Roux has written about Computer Simulation.
Connection Strength
1.039
-
Extracellular blockade of K(+) channels by TEA: results from molecular dynamics simulations of the KcsA channel. J Gen Physiol. 2001 Aug; 118(2):207-18.
Score: 0.128
-
Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water. J Mol Biol. 1997 Sep 26; 272(3):423-42.
Score: 0.098
-
Molecular dynamics simulations of the gramicidin channel. Annu Rev Biophys Biomol Struct. 1994; 23:731-61.
Score: 0.076
-
Computer simulations of the flexibility of a series of synthetic cyclic peptide analogues. Biopolymers. 1993 Aug; 33(8):1249-70.
Score: 0.073
-
Perspectives on: molecular dynamics and computational methods. J Gen Physiol. 2010 Jun; 135(6):547-8.
Score: 0.059
-
CHARMM: the biomolecular simulation program. J Comput Chem. 2009 Jul 30; 30(10):1545-614.
Score: 0.056
-
The membrane potential and its representation by a constant electric field in computer simulations. Biophys J. 2008 Nov 01; 95(9):4205-16.
Score: 0.052
-
Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels. Biophys Chem. 2006 Dec 01; 124(3):251-67.
Score: 0.044
-
Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields. Biophys J. 2006 May 15; 90(10):3447-68.
Score: 0.044
-
On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation. J Gen Physiol. 2004 Dec; 124(6):679-90.
Score: 0.040
-
Structure of gramicidin a in a lipid bilayer environment determined using molecular dynamics simulations and solid-state NMR data. J Am Chem Soc. 2003 Aug 13; 125(32):9868-77.
Score: 0.037
-
Dynamic coupling between the SH2 and SH3 domains of c-Src and Hck underlies their inactivation by C-terminal tyrosine phosphorylation. Cell. 2001 Apr 06; 105(1):115-26.
Score: 0.031
-
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels. Biophys J. 2000 Aug; 79(2):788-801.
Score: 0.030
-
Molecular dynamics of the KcsA K(+) channel in a bilayer membrane. Biophys J. 2000 Jun; 78(6):2900-17.
Score: 0.029
-
Statistical mechanical equilibrium theory of selective ion channels. Biophys J. 1999 Jul; 77(1):139-53.
Score: 0.028
-
Protein inclusion in lipid membranes: a theory based on the hypernetted chain integral equation. Faraday Discuss. 1998; (111):165-72; discussion 225-46.
Score: 0.025
-
Influence of the membrane potential on the free energy of an intrinsic protein. Biophys J. 1997 Dec; 73(6):2980-9.
Score: 0.025
-
Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study. Biophys J. 1996 Dec; 71(6):3177-85.
Score: 0.023
-
Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel. Biophys J. 1996 Jul; 71(1):19-39.
Score: 0.022
-
Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy. Biophys J. 1995 Mar; 68(3):876-92.
Score: 0.020
-
Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations. J Chem Phys. 2014 May 14; 140(18):184114.
Score: 0.019
-
Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating. Proc Natl Acad Sci U S A. 2014 Feb 04; 111(5):1831-6.
Score: 0.019
-
Configurational distribution of denatured phosphoglycerate kinase. J Mol Biol. 1993 Jun 05; 231(3):840-8.
Score: 0.018
-
Ion transport in a model gramicidin channel. Structure and thermodynamics. Biophys J. 1991 May; 59(5):961-81.
Score: 0.016
-
Nanosculpting reversed wavelength sensitivity into a photoswitchable iGluR. Proc Natl Acad Sci U S A. 2009 Apr 21; 106(16):6814-9.
Score: 0.014
-
Lipid-mediated interactions between intrinsic membrane proteins: dependence on protein size and lipid composition. Biophys J. 2001 Jul; 81(1):276-84.
Score: 0.008
-
Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study. Biophys J. 1996 Aug; 71(2):670-81.
Score: 0.006