B. J. Berne

Reversible multiple time scale molecular dynamics

Mark E. Tuckerman, B. J. Berne, Glenn Martyna · The Journal of Chemical Physics · 1992 · 3.6K citations

Natural Sciences, Physics, Computational Chemistry +14

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

Lingle Wang, Yujie Wu, Yuqing Deng et al. · Journal of the American Chemical Society · 2015 · 1.4K citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Modification of the overlap potential to mimic a linear site–site potential

J. G. Gay, B. J. Berne · The Journal of Chemical Physics · 1981 · 1.3K citations

Natural Sciences, Biophysics, Structural Biophysics +2

Replica exchange with solute tempering: A method for sampling biological systems in explicit water

Pu Liu, Byungchan Kim, Richard A. Friesner et al. · Proceedings of the National Academy of Sciences · 2005 · 839 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)

Lingle Wang, Richard A. Friesner, B. J. Berne · The Journal of Physical Chemistry B · 2011 · 821 citations

Natural Sciences, Biophysics, Chemistry +16