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The Journal of Chemical Physics|August 24, 2018
Efficient sampling of puckering states of monosaccharides through replica exchange with solute tempering and bond softeningLingle Wang, B J BerneBiophysical Journal|June 14, 2020
Improving the Accuracy of Protein Thermostability Predictions for Single Point MutationsJianxin Duan, Dmitry Lupyan, Lingle WangMethods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Protein-Ligand Binding Free Energy Calculations with FEPLingle Wang, Jennifer Chambers, Robert AbelJournal of Chemical Information and Modeling|April 4, 2015
Is ring breaking feasible in relative binding free energy calculations?Shuai Liu, Lingle Wang, David L MobleyThe Journal of Physical Chemistry. B|July 1, 2011
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)Lingle Wang, Richard A Friesner, B J BerneProceedings of the National Academy of Sciences of the United States of America|February 7, 2012
On achieving high accuracy and reliability in the calculation of relative protein-ligand binding affinitiesLingle Wang, B J Berne, Richard A FriesnerFaraday Discussions|November 4, 2010
Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent modelsLingle Wang, Richard A Friesner, B J BerneThe Journal of Physical Chemistry. B|May 7, 2010
Competition of electrostatic and hydrophobic interactions between small hydrophobes and model enclosuresLingle Wang, Richard A Friesner, B J BerneJournal of Chemical Theory and Computation|May 23, 2023
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug DesignMikolai Fajer, Ken Borrelli, Robert Abel, et al.Proceedings of the National Academy of Sciences of the United States of America|January 6, 2011
Ligand binding to protein-binding pockets with wet and dry regionsLingle Wang, B J Berne, R A FriesnerPageof 6