Bruce J. Berne

Columbia University, New York, NY 
Theory of liquids, molecular dynamics and Monte Carlo simulations of condensed matter
"Bruce J. Berne"

Mean distance: 7.7


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Stuart A. Rice grad student 1964 Chicago
 (Non-equilibrium statistical mechanics of simple dense fluids)
Ilya Prigogine post-doc 1965-1966 ULB


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Nelson De Leon grad student Columbia
Emilio Gallicchio grad student Columbia
Mark Tuckerman grad student Columbia
John A. Montgomery grad student 1978 Columbia
Charanjit S Pangali grad student 1975-1979 Columbia
Randall W. Hall grad student 1979-1983 Columbia
Michal Borkovec grad student 1986 Columbia
John E. Straub grad student 1987 Columbia
Jianshu Cao grad student 1993 Columbia
Michael New grad student 1994 NASA
Goran Krilov grad student 2001 Columbia
Yong-Han Lee grad student 2001 Columbia
Harry A. Stern grad student 2001 Columbia
Huafeng Xu grad student 2001 Columbia
Katarzyna Bernacki grad student 2002 Columbia
Tova L. Werblowsky grad student 2003 Columbia
Edward Daniel Harder grad student 2004 Columbia
Pu Liu grad student 2005 Columbia
Xuhui Huang grad student 2006 Columbia
Noelle R. Ibrahim grad student 2006 Columbia
Morten Hagen grad student 2007 Columbia
Liwen Cheng grad student 2012 Columbia
Lingle Wang grad student 2012 Columbia
Enrique R. Batista post-doc Columbia
Devarajan Thirumalai post-doc Columbia
Pratyush Tiwary post-doc ETH Zürich
Susan C Tucker post-doc Columbia
François G. Amar post-doc 1984 Columbia
David F. Coker post-doc 1985 Columbia
J. Daniel Gezelter post-doc 1996-1999 Columbia
Claudio J. Margulis post-doc 2001-2003 Columbia
Tom Kurtzman post-doc 2003-2006 Lehman College
Frauke Gräter post-doc 2006-2007 Columbia
Thomas E. Markland post-doc 2009-2011 Columbia
Jagannath Mondal post-doc 2011-2015 Columbia
BETA: Related publications


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Wang L, Berne BJ. (2018) Efficient sampling of puckering states of monosaccharides through replica exchange with solute tempering and bond softening. The Journal of Chemical Physics. 149: 072306
Tiwary P, Berne BJ. (2017) Predicting reaction coordinates in energy landscapes with diffusion anisotropy. The Journal of Chemical Physics. 147: 152701
Abel R, Wang L, Harder ED, et al. (2017) Advancing Drug Discovery through Enhanced Free Energy Calculations. Accounts of Chemical Research
Tiwary P, Mondal J, Berne BJ. (2017) How and when does an anticancer drug leave its binding site? Science Advances. 3: e1700014
Berkovich R, Mondal J, Paster I, et al. (2017) Simulated Force Quench Dynamics Shows GB1 Protein is Not a Two State Folder. The Journal of Physical Chemistry. B
Berne BJ, Fourkas JT, Walker RA, et al. (2016) Nitriles at Silica Interfaces Resemble Supported Lipid Bilayers. Accounts of Chemical Research
Tiwary P, Berne BJ. (2016) How wet should be the reaction coordinate for ligand unbinding? The Journal of Chemical Physics. 145: 054113
Clark AJ, Tiwary P, Borrelli K, et al. (2016) Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations. Journal of Chemical Theory and Computation
Tiwary P, Berne BJ. (2016) Kramers turnover: From energy diffusion to spatial diffusion using metadynamics. The Journal of Chemical Physics. 144: 134103
Mondal J, Tiwary P, Berne BJ. (2016) How a kinase inhibitor withstands Gatekeeper residue mutations. Journal of the American Chemical Society
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