دنبال کردن
B. J. Berne or Bruce J Berne or Bruce Berne
B. J. Berne or Bruce J Berne or Bruce Berne
Higgins Professor of Chemistry
ایمیل تأیید شده در columbia.edu
عنوان
نقل شده توسط
نقل شده توسط
سال
Dynamic light scattering: with applications to chemistry, biology, and physics‏
BJ Berne, R Pecora‏
Courier Corporation, 2000‏
119772000
Reversible multiple time scale molecular dynamics‏
M Tuckerman, BJ Berne, GJ Martyna‏
The Journal of chemical physics 97 (3), 1990-2001, 1992‏
41871992
Modification of the overlap potential to mimic a linear site-site potential‏
JG Gay, BJ Berne‏
Journal of Chemical Physics 74 (6), 3316-3319, 1981‏
15751981
Integrated modeling program, applied chemical theory (IMPACT)‏
JL Banks, HS Beard, Y Cao, AE Cho, W Damm, R Farid, AK Felts, ...‏
Journal of computational chemistry 26 (16), 1752-1780, 2005‏
15272005
Dynamical fluctuating charge force fields: Application to liquid water‏
SW Rick, SJ Stuart, BJ Berne‏
The Journal of chemical physics 101 (7), 6141-6156, 1994‏
15221994
Classical and quantum dynamics in condensed phase simulations‏
H Jónsson, G Mills, KW Jacobsen, BJ Berne, G Ciccotti, DF Coker‏
World scientific, 1998‏
15121998
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field‏
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...‏
Journal of the American Chemical Society 137 (7), 2695-2703, 2015‏
12412015
On the simulation of quantum systems: path integral methods‏
BJ Berne, D Thirumalai‏
Annual Review of Physical Chemistry 37 (1), 401-424, 1986‏
8771986
Replica exchange with solute tempering: A method for sampling biological systems in explicit water‏
P Liu, B Kim, RA Friesner, BJ Berne‏
Proceedings of the National Academy of Sciences 102 (39), 13749-13754, 2005‏
8652005
On the calculation of time correlation functions‏
BJ Berne, GD Harp‏
Advances in chemical physics, 63-227, 1970‏
8461970
Encyclopedia of computational chemistry‏
P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ...‏
J. Wiley & Sons, 1998‏
823*1998
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)‏
L Wang, RA Friesner, BJ Berne‏
The Journal of Physical Chemistry B 115 (30), 9431-9438, 2011‏
8042011
Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding‏
T Young, R Abel, B Kim, BJ Berne, RA Friesner‏
Proceedings of the National Academy of Sciences 104 (3), 808-813, 2007‏
7852007
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding‏
R Abel, T Young, R Farid, BJ Berne, RA Friesner‏
Journal of the American Chemical Society 130 (9), 2817-2831, 2008‏
7442008
Gaussian model potentials for molecular interactions‏
BJ Berne, P Pechukas‏
The Journal of Chemical Physics 56 (8), 4213-4216, 1972‏
6951972
Hydrophobic collapse in multidomain protein folding‏
R Zhou, X Huang, CJ Margulis, BJ Berne‏
Science 305 (5690), 1605-1609, 2004‏
6282004
The free energy landscape for β hairpin folding in explicit water‏
R Zhou, BJ Berne, R Germain‏
Proceedings of the National Academy of Sciences 98 (26), 14931-14936, 2001‏
5942001
Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding‏
L Hua, R Zhou, D Thirumalai, BJ Berne‏
Proceedings of the National Academy of Sciences 105 (44), 16928-16933, 2008‏
5932008
Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals‏
ME Tuckerman, BJ Berne, GJ Martyna, ML Klein‏
The Journal of Chemical Physics 99 (4), 2796-2808, 1993‏
5591993
On path integral Monte Carlo simulations‏
MF Herman, EJ Bruskin, BJ Berne‏
The Journal of Chemical Physics 76 (10), 5150-5155, 1982‏
5361982
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مقاله‌ها 1–20