Régis Pomès
Régis Pomès
Hospital for Sick Children
Verified email at sickkids.ca - Homepage
TitleCited byYear
Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel
R Pomes, B Roux
Biophysical journal 71 (1), 19-39, 1996
3051996
Molecular mechanism of H+ conduction in the single-file water chain of the gramicidin channel
R Pomès, B Roux
Biophysical journal 82 (5), 2304-2316, 2002
2802002
Proline and glycine control protein self-organization into elastomeric or amyloid fibrils
S Rauscher, S Baud, M Miao, FW Keeley, R Pomes
Structure 14 (11), 1667-1676, 2006
2782006
Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study
B Roux, M Nina, R Pomes, JC Smith
Biophysical journal 71 (2), 670-681, 1996
2531996
Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules
R Pomès, B Roux
Biophysical journal 75 (1), 33-40, 1998
2231998
Statistical convergence of equilibrium properties in simulations of molecular solutes embedded in lipid bilayers
C Neale, WFD Bennett, DP Tieleman, R Pomes
Journal of Chemical Theory and Computation 7 (12), 4175-4188, 2011
1642011
Molecular basis of proton blockage in aquaporins
N Chakrabarti, E Tajkhorshid, B Roux, R Pomès
Structure 12 (1), 65-74, 2004
1562004
Theoretical Study of H+ Translocation along a Model Proton Wire
R Pomes, B Roux
The Journal of Physical Chemistry 100 (7), 2519-2527, 1996
1301996
Structural determinants of proton blockage in aquaporins
N Chakrabarti, B Roux, R Pomès
Journal of molecular biology 343 (2), 493-510, 2004
1142004
Enhancing the accuracy, the efficiency and the scope of free energy simulations
T Rodinger, R Pomès
Current opinion in structural biology 15 (2), 164-170, 2005
1012005
Structure and dynamics of a proton shuttle in cytochrome c oxidase
R Pomès, G Hummer, M Wikström
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1365 (1-2), 255-260, 1998
981998
Computational approaches to the rational design of nanoemulsions, polymeric micelles, and dendrimers for drug delivery
L Huynh, C Neale, R Pomès, C Allen
Nanomedicine: Nanotechnology, Biology and Medicine 8 (1), 20-36, 2012
892012
Catalysis of Na+ permeation in the bacterial sodium channel NaVAb
N Chakrabarti, C Ing, J Payandeh, N Zheng, WA Catterall, R Pomès
Proceedings of the National Academy of Sciences 110 (28), 11331-11336, 2013
882013
An iris-like mechanism of pore dilation in the CorA magnesium transport system
N Chakrabarti, C Neale, J Payandeh, EF Pai, R Pomès
Biophysical journal 98 (5), 784-792, 2010
832010
Molecular simulations of protein disorder
S Rauscher, R Pomès
Biochemistry and cell biology 88 (2), 269-290, 2010
792010
A combined molecular dynamics and diffusion model of single proton conduction through gramicidin
MF Schumaker, R Pomès, B Roux
Biophysical Journal 79 (6), 2840-2857, 2000
742000
Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal
C Neale, C Madill, S Rauscher, R Pomes
Journal of chemical theory and computation 9 (8), 3686-3703, 2013
732013
Quantum effects on the structure and energy of a protonated linear chain of hydrogen-bonded water molecules
R Pomès, B Roux
Chemical physics letters 234 (4-6), 416-424, 1995
731995
Improving internal peptide dynamics in the coarse-grained MARTINI model: toward large-scale simulations of amyloid-and elastin-like peptides
M Seo, S Rauscher, R Pomès, DP Tieleman
Journal of chemical theory and computation 8 (5), 1774-1785, 2012
692012
Functional hydration and conformational gating of proton uptake in cytochrome c oxidase
RM Henry, CH Yu, T Rodinger, R Pomès
Journal of molecular biology 387 (5), 1165-1185, 2009
672009
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