Benoit Roux to Models, Chemical
This is a "connection" page, showing publications Benoit Roux has written about Models, Chemical.
Connection Strength
1.872
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Instantaneous ion configurations in the K+ ion channel selectivity filter revealed by 2D IR spectroscopy. Science. 2016 09 02; 353(6303):1040-1044.
Score: 0.468
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Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theory. J Chem Phys. 2010 Jun 21; 132(23):234101.
Score: 0.304
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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: 0.226
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On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation. J Gen Physiol. 2004 Dec; 124(6):679-90.
Score: 0.207
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The binding site of sodium in the gramicidin A channel: comparison of molecular dynamics with solid-state NMR data. Biophys J. 1997 May; 72(5):1930-45.
Score: 0.122
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Multi-ion free energy landscapes underscore the microscopic mechanism of ion selectivity in the KcsA channel. Biochim Biophys Acta. 2016 Jul; 1858(7 Pt B):1722-32.
Score: 0.113
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Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations. J Chem Phys. 2014 May 14; 140(18):184114.
Score: 0.100
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Computer simulations of the flexibility of a series of synthetic cyclic peptide analogues. Biopolymers. 1993 Aug; 33(8):1249-70.
Score: 0.094
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CHARMM: the biomolecular simulation program. J Comput Chem. 2009 Jul 30; 30(10):1545-614.
Score: 0.072
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Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules. Biophys J. 1998 Jul; 75(1):33-40.
Score: 0.033
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Influence of the membrane potential on the free energy of an intrinsic protein. Biophys J. 1997 Dec; 73(6):2980-9.
Score: 0.032
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Kinetics of peptide folding: computer simulations of SYPFDV and peptide variants in water. J Mol Biol. 1997 Sep 26; 272(3):423-42.
Score: 0.031
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Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer. Proteins. 1996 Jan; 24(1):92-114.
Score: 0.028
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Functional interactions in bacteriorhodopsin: a theoretical analysis of retinal hydrogen bonding with water. Biophys J. 1995 Jan; 68(1):25-39.
Score: 0.026
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Structure and dynamics of an amphiphilic peptide in a lipid bilayer: a molecular dynamics study. Biophys J. 1997 Dec; 73(6):3039-55.
Score: 0.008
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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: 0.007