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Methods in Molecular Biology (Clifton, N.J.)|April 11, 2015
Structure-based computational approaches for small-molecule modulation of protein-protein interactionsDavid Xu, Bo Wang, Samy O MerouehJournal of Chemical Information and Modeling|May 8, 2016
Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical LibrariesDavid Xu, Samy O MerouehJournal of Chemical Information and Modeling|July 7, 2011
Support vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical librariesLiwei Li, Bo Wang, Samy O MerouehJournal of Chemical Information and Modeling|August 3, 2017
A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction InterfacesDavid Xu, Yubing Si, Samy O MerouehJournal of Chemical Information and Modeling|September 17, 2013
Molecular recognition in a diverse set of protein-ligand interactions studied with molecular dynamics simulations and end-point free energy calculationsBo Wang, Liwei Li, Thomas D Hurley, et al.Chemmedchem|January 21, 2022
Covalent Fragment Screening Identifies Rgl2 RalGEF Cysteine for Targeted Covalent Inhibition of Ral GTPase ActivationKhuchtumur Bum-Erdene, Mona K Ghozayel, David Xu, et al.Molecular Biosystems|July 26, 2016
Small-molecule binding sites to explore protein-protein interactions in the cancer proteomeDavid Xu, Shadia I Jalal, George W Sledge, et al.ACS Chemical Biology|February 12, 2015
A new class of orthosteric uPAR·uPA small-molecule antagonists are allosteric inhibitors of the uPAR·vitronectin interactionDegang Liu, Donghui Zhou, Bo Wang, et al.Chemical Biology & Drug Design|June 2, 2007
Conformational transition in the aminoacyl t-RNA site of the bacterial ribosome both in the presence and absence of an aminoglycoside antibioticSamy O Meroueh, Shahriar MobasheryJournal of Chemical Information and Modeling|May 27, 2014
Enrichment of chemical libraries docked to protein conformational ensembles and application to aldehyde dehydrogenase 2Bo Wang, Cameron D Buchman, Liwei Li, et al.Pageof 1,150