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Journal of Molecular Biology|June 5, 2012
A role for loop F in modulating GABA binding affinity in the GABA(A) receptorTimothy S Carpenter, Edmond Y Lau, Felice C LightstoneChemical Research in Toxicology|September 14, 2013
Identification of a possible secondary picrotoxin-binding site on the GABA(A) receptorTimothy S Carpenter, Edmond Y Lau, Felice C LightstoneBiophysical Journal|August 8, 2014
A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulationsTimothy S Carpenter, Daniel A Kirshner, Edmond Y Lau, et al.Plos Computational Biology|April 28, 2016
An Electrostatic Funnel in the GABA-Binding PathwayTimothy S Carpenter, Felice C LightstoneChemical Research in Toxicology|September 19, 2006
Insights into the o-acetylation reaction of hydroxylated heterocyclic amines by human arylamine N-acetyltransferases: a computational studyEdmond Y Lau, James S Felton, Felice C LightstoneInorganic Chemistry|November 7, 2006
Environmental effects on the structure of metal ion-DOTA complexes: an ab initio study of radiopharmaceutical metalsEdmond Y Lau, Felice C Lightstone, Michael E ColvinJournal of Chemical Theory and Computation|February 12, 2020
Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell ModelVictor Ovchinnikov, Simone Conti, Edmond Y Lau, et al.Journal of Chemical Theory and Computation|December 9, 2015
Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase CatalysisJean-Luc Fattebert, Edmond Y Lau, Brian J Bennion, et al.Journal of Chemical Theory and Computation|October 1, 2019
MemSurfer: A Tool for Robust Computation and Characterization of Curved MembranesHarsh Bhatia, Helgi I Ingólfsson, Timothy S Carpenter, et al.Plos One|April 16, 2015
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsBrian J Bennion, Sebnem G Essiz, Edmond Y Lau, et al.Pageof 15