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Journal 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 Meroueh
Journal 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 Meroueh
Journal 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 Meroueh
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 Meroueh
Current Topics in Medicinal Chemistry|August 24, 2004
Quest for selectivity in inhibition of matrix metalloproteinasesStephen Brown, Samy O Meroueh, Rafael Fridman, et al.
Protein Engineering, Design & Selection : PEDS|August 1, 2009
Incorporating receptor flexibility in the molecular design of protein interfacesLiwei Li, Shide Liang, Meaghan M Pilcher, et al.
Journal 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.
Journal of the American Chemical Society|March 23, 2011
A computational evaluation of the mechanism of penicillin-binding protein-catalyzed cross-linking of the bacterial cell wallQicun Shi, Samy O Meroueh, Jed F Fisher, et al.
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