Samy O. Meroueh

Publication Activity (10 Years)

Years Active: 2010-2017
Publications (10 Years): 2

Top Topics

Chemical Compounds

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Publications

David Xu, Yubing Si, Samy O. Meroueh
A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction Interfaces. J. Chem. Inf. Model. 57 (9) (2017)
David Xu, Samy O. Meroueh
Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries. J. Chem. Inf. Model. 56 (6) (2016)
Bo Wang, Cameron D. Buchman, Liwei Li, Thomas D. Hurley, Samy O. Meroueh
Enrichment of Chemical Libraries Docked to Protein Conformational Ensembles and Application to Aldehyde Dehydrogenase 2. J. Chem. Inf. Model. 54 (7) (2014)
Bo Wang, Liwei Li, Thomas D. Hurley, Samy O. Meroueh
Molecular Recognition in a Diverse Set of Protein-Ligand Interactions Studied with Molecular Dynamics Simulations and End-Point Free Energy Calculations. J. Chem. Inf. Model. 53 (10) (2013)
Liwei Li, Bo Wang, Samy O. Meroueh
Support Vector Regression Scoring of Receptor-Ligand Complexes for Rank-Ordering and Virtual Screening of Chemical Libraries. J. Chem. Inf. Model. 51 (9) (2011)
Liwei Li, May Khanna, Inha Jo, Fang Wang, Nicole M. Ashpole, Andy Hudmon, Samy O. Meroueh
Target-Specific Support Vector Machine Scoring in Structure-Based Virtual Screening: Computational Validation, In Vitro Testing in Kinases, and Effects on Lung Cancer Cell Proliferation. J. Chem. Inf. Model. 51 (4) (2011)
Liwei Li, Khuchtumur Bum-Erdene, Peter H. Baenziger, Joshua J. Rosen, Jamison R. Hemmert, Joy A. Nellis, Marlon E. Pierce, Samy O. Meroueh
a computational drug design resource for ranking molecules docked to the human proteome. Nucleic Acids Res. 38 (Database-Issue) (2010)