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 Jr grad student 1978 Columbia
Randall W. Hall grad student 1979-1983 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
François G. Amar post-doc 1984 Columbia
David F. Coker post-doc 1985 Columbia
J. Daniel Gezelter post-doc 1996-1999 Columbia
Tom Kurtzman post-doc 2003-2006 Lehman College
Thomas E. Markland post-doc 2009-2011 Columbia
Jagannath Mondal post-doc 2011-2015 Columbia
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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
Tiwary P, Berne BJ. (2016) Spectral gap optimization of order parameters for sampling complex molecular systems. Proceedings of the National Academy of Sciences of the United States of America
Tiwary P, Mondal J, Morrone JA, et al. (2015) Role of water and steric constraints in the kinetics of cavity-ligand unbinding. Proceedings of the National Academy of Sciences of the United States of America
Mondal J, Halverson D, Li IT, et al. (2015) How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory. Proceedings of the National Academy of Sciences of the United States of America. 112: 9270-5
Wang L, Wu Y, Deng Y, et al. (2015) 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. Journal of the American Chemical Society. 137: 2695-703
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