Moving Volunteer Computing towards Knowledge-Constructed, Dynamically-Adaptive Modeling and Scheduling. - Michela Taufer; Andre Kerstens; Trilce Estrada; David A. Flores; Richard Zamudio; Patricia J. Teller; Roger S. Armen; Charles L. Brooks III (IPDPS, 2007)

Automatic selection of near-native protein-ligand conformations using a hierarchical clustering and volunteer computing. - Trilce Estrada; Roger S. Armen; Michela Taufer (BCB, 2010)

Poster: study of protein-ligand binding geometries using a scalable and accurate octree-based algorithm in mapReduce. - Trilce Estrada; Boyu Zhang 002; Pietro Cicotti; Roger S. Armen; Michela Taufer (SC Companion, 2011)

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. - Obaidur Rahaman; Trilce Estrada; Douglas J. Doren; Michela Taufer; Charles L. Brooks III; Roger S. Armen (J. Chem. Inf. Model., 2011)

Protein Docking. - Roger S. Armen; Eric R. May; Michela Taufer (Encyclopedia of Parallel Computing, 2011)

ExSciTecH: Expanding volunteer computing to Explore Science, Technology, and Health. - Michael Matheny; Samuel Schlachter; L. M. Crouse; E. T. Kimmel; Trilce Estrada; Marcel Schumann; Roger S. Armen; Gary M. Zoppetti; Michela Taufer (eScience, 2012)

Reengineering High-throughput Molecular Datasets for Scalable Clustering Using MapReduce. - Trilce Estrada; Boyu Zhang 002; Michela Taufer; Pietro Cicotti; Roger S. Armen (HPCC-ICESS, 2012)

A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach. - Trilce Estrada; Boyu Zhang 002; Pietro Cicotti; Roger S. Armen; Michela Taufer (Comput. Biol. Medicine, 2012)

Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure. - Marcel Schumann; Roger S. Armen (J. Comput. Chem., 2013)

Prediction of consensus binding mode geometries for related chemical series of positive allosteric modulators of adenosine and muscarinic acetylcholine receptors. - Leon A. Sakkal; Kyle Z. Rajkowski; Roger S. Armen (J. Comput. Chem., 2017)

Modeling the Structure-Activity Relationship of Arbidol Derivatives and Other SARS-CoV-2 Fusion Inhibitors Targeting the S2 Segment of the Spike Protein. - Matthew R. Freidel; Roger S. Armen (J. Chem. Inf. Model., 2021)