B. J. Berne
1966–2017 年に発表
- 86
- 論文数
- 31,946
- 被引用数
- 79
- h 指数
- 86
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology40.2%
- Physics and Astronomy16.4%
- Computer Science14.2%
- Materials Science7.1%
- Medicine6.6%
- Chemistry4.3%
- その他11.2%
トピック
- Protein Structure and Dynamics14.4%
- Computational Drug Discovery Methods6.7%
- Spectroscopy and Quantum Chemical Studies6.7%
- Enzyme Structure and Function4%
- RNA and protein synthesis mechanisms2.3%
- Advanced Chemical Physics Studies2.2%
- その他63.7%
共著者
- Ruhong Zhou20
- Richard A. Friesner17
- Xuhui Huang7
- Harry A. Stern6
- Jagannath Mondal5
- John E. Straub5
- Julio M. Fernández5
- Lingle Wang5
- Pu Liu5
- Robert Abel5
- Byungchan Kim4
- Claudio J. Margulis4
- George A. Kaminski4
- Glenn Martyna4
- Guillaume Stirnemann4
- Mark E. Tuckerman4
- Pratyush Tiwary4
- D. Thirumalai3
- Edward Harder3
- Huafeng Xu3
- Lan Hua3
- Michal Borkovec3
- Steven J. Stuart3
- Steven W. Rick3
全論文
- 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
著者: Lingle Wang, Yujie Wu, Yuqing Deng, Byungchan Kim, Levi Pierce, Goran Krilov, Dmitry Lupyan, Shaughnessy Robinson, Markus K. Dahlgren, Jeremy R. Greenwood, Donna L. Romero, C. E. Masse, Jennifer L. Knight, Thomas Steinbrecher, Thijs Beuming, Wolfgang Damm, Ed Harder, Woody Sherman, Mark Brewer, Ron Wester, Mark A. Murcko, Leah L. Frye, Ramy Farid, Lin Teng, David L. Mobley, William L. Jorgensen, B. J. Berne, Richard A. Friesner, Robert Abel - Journal of the American Chemical Society 2015 被引用: 1,393
- Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)
著者: Lingle Wang, Richard A. Friesner, B. J. Berne - The Journal of Physical Chemistry B 2011 被引用: 821
- Reversible multiple time scale molecular dynamics
著者: Mark E. Tuckerman, B. J. Berne, Glenn Martyna - The Journal of Chemical Physics 1992 被引用: 3,605
- Replica exchange with solute tempering: A method for sampling biological systems in explicit water
著者: Pu Liu, Byungchan Kim, Richard A. Friesner, B. J. Berne - National Academy of Sciences, Proceedings of the National Academy of Sciences 2005 被引用: 839
- Advancing Drug Discovery through Enhanced Free Energy Calculations
著者: Robert Abel, Lingle Wang, Edward Harder, B. J. Berne, Richard A. Friesner - Accounts of Chemical Research 2017 被引用: 359
- Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding
著者: Tom Young, Robert Abel, Byungchan Kim, B. J. Berne, Richard A. Friesner - National Academy of Sciences, Proceedings of the National Academy of Sciences 2007 被引用: 707
- Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding
著者: Robert Abel, Tom Young, Ramy Farid, B. J. Berne, Richard A. Friesner - Journal of the American Chemical Society 2008 被引用: 677
- Spectral gap optimization of order parameters for sampling complex molecular systems
著者: Pratyush Tiwary, B. J. Berne - National Academy of Sciences, Proceedings of the National Academy of Sciences 2016 被引用: 279
- Dynamic Light Scattering: With Applications to Chemistry, Biology, and Physics
著者: B. J. Berne, R. Pecora - 1976 被引用: 2,864
- Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
著者: Anthony J. Clark, Pratyush Tiwary, Ken Borrelli, Shulu Feng, Edward B. Miller, Robert Abel, Richard A. Friesner, B. J. Berne - Journal of Chemical Theory and Computation 2016 被引用: 244
- On achieving high accuracy and reliability in the calculation of relative protein–ligand binding affinities
著者: Lingle Wang, B. J. Berne, Richard A. Friesner - National Academy of Sciences, Proceedings of the National Academy of Sciences 2012 被引用: 249
- A Multiple-Time-Step Molecular Dynamics Algorithm for Macromolecules
著者: Darryl D. Humphreys, Richard A. Friesner, B. J. Berne - The Journal of Physical Chemistry 1994 被引用: 334
- Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding
著者: Lan Hua, Ruhong Zhou, D. Thirumalai, B. J. Berne - National Academy of Sciences, Proceedings of the National Academy of Sciences 2008 被引用: 539
- Ligand binding to protein-binding pockets with wet and dry regions
著者: Lingle Wang, B. J. Berne, Richard A. Friesner - National Academy of Sciences, Proceedings of the National Academy of Sciences 2011 被引用: 216
- Dynamical fluctuating charge force fields: Application to liquid water
著者: Steven W. Rick, Steven J. Stuart, B. J. Berne - The Journal of Chemical Physics 1994 被引用: 1,178
- How and when does an anticancer drug leave its binding site?
著者: Pratyush Tiwary, Jagannath Mondal, B. J. Berne - Science Advances 2017 被引用: 142
- Urea’s Action on Hydrophobic Interactions
著者: Ronen Zangi, Ruhong Zhou, B. J. Berne - Journal of the American Chemical Society 2009 被引用: 342
- Role of Water in Mediating the Assembly of Alzheimer Amyloid-β Aβ16−22 Protofilaments
著者: Mary Griffin Krone, Lan Hua, Patricia Soto, Ruhong Zhou, B. J. Berne, Joan‐Emma Shea - Journal of the American Chemical Society 2008 被引用: 225
- How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory
著者: Jagannath Mondal, Duncan Halverson, Isaac T. S. Li, Guillaume Stirnemann, Gilbert C. Walker, B. J. Berne - National Academy of Sciences, Proceedings of the National Academy of Sciences 2015 被引用: 133
- Molecular dynamics with multiple time scales: The selection of efficient reference system propagators
著者: Steven J. Stuart, Ruhong Zhou, B. J. Berne - The Journal of Chemical Physics 1996 被引用: 125
- Modification of the overlap potential to mimic a linear site–site potential
著者: J. G. Gay, B. J. Berne - The Journal of Chemical Physics 1981 被引用: 1,305
- On the Calculation of Autocorrelation Functions of Dynamical Variables
著者: B. J. Berne, Jean Pierre Boon, Stuart A. Rice - The Journal of Chemical Physics 1966 被引用: 343
- Gaussian Model Potentials for Molecular Interactions
著者: B. J. Berne, Philip Pechukas - The Journal of Chemical Physics 1972 被引用: 549
- Hydrophobic Collapse in Multidomain Protein Folding
著者: Ruhong Zhou, Xuhui Huang, Claudio J. Margulis, B. J. Berne - Science 2004 被引用: 516
