Roger S. Armen

Publication Activity (10 Years)

Years Active: 2007-2021
Publications (10 Years): 2

Top Topics

National Institute

Protein Sequences

Clustering Method

Microarray Gene

Top Venues

J. Comput. Chem.

Comput. Biol. Medicine

Publications

Matthew R. Freidel, Roger S. Armen
Modeling the Structure-Activity Relationship of Arbidol Derivatives and Other SARS-CoV-2 Fusion Inhibitors Targeting the S2 Segment of the Spike Protein. J. Chem. Inf. Model. 61 (12) (2021)
Leon A. Sakkal, Kyle Z. Rajkowski, Roger S. Armen
Prediction of consensus binding mode geometries for related chemical series of positive allosteric modulators of adenosine and muscarinic acetylcholine receptors. J. Comput. Chem. 38 (15) (2017)
Marcel Schumann, Roger S. Armen
Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure. J. Comput. Chem. 34 (14) (2013)
Michael Matheny, Samuel Schlachter, L. M. Crouse, E. T. Kimmel, Trilce Estrada, Marcel Schumann, Roger S. Armen, Gary M. Zoppetti, Michela Taufer
ExSciTecH: Expanding volunteer computing to Explore Science, Technology, and Health. eScience (2012)
Trilce Estrada, Boyu Zhang, Michela Taufer, Pietro Cicotti, Roger S. Armen
Reengineering High-throughput Molecular Datasets for Scalable Clustering Using MapReduce. HPCC-ICESS (2012)
Trilce Estrada, Boyu Zhang, Pietro Cicotti, Roger S. Armen, Michela Taufer
A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach. Comput. Biol. Medicine 42 (7) (2012)
Trilce Estrada, Boyu Zhang, Pietro Cicotti, Roger S. Armen, Michela Taufer
Poster: study of protein-ligand binding geometries using a scalable and accurate octree-based algorithm in mapReduce. SC Companion (2011)
Obaidur Rahaman, Trilce Estrada, Douglas J. Doren, Michela Taufer, Charles L. Brooks III, Roger S. Armen
Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy. J. Chem. Inf. Model. 51 (9) (2011)
Trilce Estrada, Roger S. Armen, Michela Taufer
Automatic selection of near-native protein-ligand conformations using a hierarchical clustering and volunteer computing. BCB (2010)
Michela Taufer, Andre Kerstens, Trilce Estrada, David A. Flores, Richard Zamudio, Patricia J. Teller, Roger S. Armen, Charles L. Brooks III
Moving Volunteer Computing towards Knowledge-Constructed, Dynamically-Adaptive Modeling and Scheduling. IPDPS (2007)