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Journal of Chemical Theory and Computation|November 14, 2013
AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATALei Huang, Benoît RouxJournal of the American Chemical Society|September 23, 2014
Computational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivityYen-Lin Lin, Yilin Meng, Lei Huang, et al.Journal of Chemical Theory and Computation|April 26, 2018
Optimized Lennard-Jones Parameters for Druglike Small MoleculesEliot Boulanger, Lei Huang, Chetan Rupakheti, et al.Biochimica Et Biophysica Acta. General Subjects|April 1, 2020
Glycine substitution in SH3-SH2 connector of Hck tyrosine kinase causes population shift from assembled to disassembled stateLei Huang, Michelle Wright, Sichun Yang, et al.Annual Review of Biophysics and Biomolecular Structure|May 5, 2005
Ion conduction and selectivity in K(+) channelsBenoît RouxThe Journal of Physical Chemistry. B|July 23, 2020
Continuum Electrostatic Behavior of a 3D-RISM TheoryBenoît RouxThe Journal of Physical Chemistry. A|August 18, 2021
String Method with Swarms-of-Trajectories, Mean Drifts, Lag Time, and CommittorBenoît RouxAccounts of Chemical Research|June 19, 2002
Computational studies of the gramicidin channelBenoît RouxCurrent Opinion in Structural Biology|April 18, 2002
Theoretical and computational models of ion channelsBenoît RouxPageof 348