‪B. J. Berne or Bruce J Berne or Bruce Berne‬

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Eran RabaniGlenn T. Seaborg Chair in Physical Chemistry, University of California, BerkeleyVerified email at berkeley.edu
Xuhui HuangHirschfelder Chair in Theoretical Chemistry, University of Wisconsin-Madison (previously at HKUST)Verified email at chem.wisc.edu
Rao MikkilineniGolden Gate UniversityVerified email at ggu.edu
David F. CokerBoston University, Department of Chemistry and Department of PhysicsVerified email at bu.edu
Anders WallqvistUnited States Army Medical Research and Development CommandVerified email at bhsai.org
Steven J StuartProfessor of Chemistry, Clemson UniversityVerified email at g.clemson.edu
Joel S. BaderProfessor, Biomedical Engineering, Johns Hopkins University; Founder, Neochromosome, Inc.Verified email at jhu.edu
Joseph A. MorroneIBM T.J. Watson Research CenterVerified email at us.ibm.com
Ramy FaridSchrödinger, Inc.Verified email at schrodinger.com
Jingyuan LiProfessor, Institute of High Energy Physics CASVerified email at ihep.ac.cn
Michael L KleinTemple UniversityVerified email at temple.edu
Victor GuallarBarcelona Supercomputing CenterVerified email at bsc.es
Piero ProcacciComputational chemist, University of FlorenceVerified email at unifi.it
Dr. Rodolfo HermansDepartment of Electronic & Electrical Engineering, UCLVerified email at ucl.ac.uk
Peter Hanggi or Peter Haenggi or Pete...University of Augsburg, Universität AugsburgVerified email at physik.uni-augsburg.de
Abraham NitzanProfessor of Chemistry, University of Pennsylvania and Tel Aviv UniversityVerified email at sas.upenn.edu
Byungchan KimXtalPi Inc

B. J. Berne or Bruce J Berne or Bruce Berne

Higgins Professor of Chemistry

Verified email at columbia.edu

Theoretical Chemistry Computational Chemistry Biophysics Computational Biology Statistical Mechanics


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Dynamic light scattering: with applications to chemistry, biology, and physics BJ Berne, R Pecora Courier Corporation, 2000	11970	2000
Reversible multiple time scale molecular dynamics M Tuckerman, BJ Berne, GJ Martyna The Journal of chemical physics 97 (3), 1990-2001, 1992	4213	1992
Modification of the overlap potential to mimic a linear site–site potential JG Gay, BJ Berne The Journal of Chemical Physics 74 (6), 3316-3319, 1981	1576	1981
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	1526	1994
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	1519	2005
Classical and quantum dynamics in condensed phase simulations H Jónsson, G Mills, KW Jacobsen, BJ Berne, G Ciccotti, DF Coker World Scientific, 1998	1516	1998
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	1240	2015
On the simulation of quantum systems: path integral methods BJ Berne, D Thirumalai Annual Review of Physical Chemistry 37 (1), 401-424, 1986	879	1986
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	854	2005
On the calculation of time correlation functions BJ Berne, GD Harp Advances in chemical physics, 63-227, 1970	850	1970
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	807	2011
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	788	2007
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	748	2008
Gaussian model potentials for molecular interactions BJ Berne, P Pechukas The Journal of Chemical Physics 56 (8), 4213-4216, 1972	680	1972
Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ... J. Wiley & Sons, 1998	650*	1998
Hydrophobic collapse in multidomain protein folding R Zhou, X Huang, CJ Margulis, BJ Berne Science 305 (5690), 1605-1609, 2004	630	2004
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	592	2008
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	589	2001
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	561	1993
On path integral Monte Carlo simulations MF Herman, EJ Bruskin, BJ Berne The Journal of Chemical Physics 76 (10), 5150-5155, 1982	540	1982

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