B J Berne

发表

Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluid.

Robert Abel, Lingle Wang, Richard A Friesner, 2009, Journal of chemical theory and computation.

Serial replica exchange.

Richard A Friesner, Byungchan Kim, Pu Liu, 2007, The journal of physical chemistry. B.

Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations.

Pratyush Tiwary, Shulu Feng, Robert Abel, 2016, Journal of chemical theory and computation.

Molecular Dynamics with Multiple Time Scales: How to Avoid Pitfalls.

Ruhong Zhou, Joseph A Morrone, Joseph A. Morrone, 2010, Journal of chemical theory and computation.

Ligand binding to protein-binding pockets with wet and dry regions

Lingle Wang, R A Friesner, B J Berne, 2011, Proceedings of the National Academy of Sciences.

Replica exchange with solute tempering: efficiency in large scale systems.

Ruhong Zhou, Xuhui Huang, Richard A Friesner, 2007, The journal of physical chemistry. B.

Interplay between hydrodynamics and the free energy surface in the assembly of nanoscale hydrophobes.

Joseph A Morrone, Jingyuan Li, B J Berne, 2012, The journal of physical chemistry. B.

Catalytic tempering: A method for sampling rough energy landscapes by Monte Carlo.

G Stolovitzky, B J Berne, 2000, Proceedings of the National Academy of Sciences of the United States of America.

Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: a comparative study of the effects of solvent and protein polarizability.

Richard A Friesner, Byungchan Kim, Edward Harder, 2005, The journal of physical chemistry. B.

Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding

Ruhong Zhou, D Thirumalai, Lan Hua, 2008, Proceedings of the National Academy of Sciences.

Hydrophobic aided replica exchange: an efficient algorithm for protein folding in explicit solvent.

Ruhong Zhou, Xuhui Huang, B J Berne, 2006, The journal of physical chemistry. B.

Role of water and steric constraints in the kinetics of cavity–ligand unbinding

Pratyush Tiwary, Joseph A Morrone, Jagannath Mondal, 2015, Proceedings of the National Academy of Sciences.

Predicting reaction coordinates in energy landscapes with diffusion anisotropy.

Pratyush Tiwary, B J Berne, B. Berne, 2017, The Journal of chemical physics.

Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water.

Richard A Friesner, Byungchan Kim, Edward Harder, 2005, Journal of chemical theory and computation.

Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances.

Michele Ceriotti, Joseph A Morrone, Thomas E. Markland, 2010, The Journal of chemical physics.

Single homopolypeptide chains collapse into mechanically rigid conformations

Jingyuan Li, B J Berne, B. Berne, 2009, Proceedings of the National Academy of Sciences.

Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent models.

Lingle Wang, Richard A Friesner, B J Berne, 2010, Faraday discussions.

Number fluctuation spectroscopy of motile microorganisms.

B J Berne, B. Berne, D. W. Schaefer, 1975, Biophysical journal.

A displaced-solvent functional analysis of model hydrophobic enclosures.

Robert Abel, Lingle Wang, Richard A Friesner, 2010, Journal of chemical theory and computation.

Multiple "time step" Monte Carlo simulations: application to charged systems with Ewald summation.

B J Berne, B. Berne, K. Bernacki, 2004, The Journal of chemical physics.

Water’s role in the force-induced unfolding of ubiquitin

Jingyuan Li, B J Berne, Julio M Fernandez, 2010, Proceedings of the National Academy of Sciences.

Aggregation and dispersion of small hydrophobic particles in aqueous electrolyte solutions.

Ronen Zangi, B J Berne, B. Berne, 2006, The journal of physical chemistry. B.

Elastic bag model for molecular dynamics simulations of solvated systems: application to liquid water and solvated peptides.

Goran Krilov, B J Berne, Yuhui Li, 2006, The journal of physical chemistry. B.

How a Kinase Inhibitor Withstands Gatekeeper Residue Mutations.

Pratyush Tiwary, Jagannath Mondal, B J Berne, 2016, Journal of the American Chemical Society.