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ORCIDRoger S. Armen
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2020 – today
- 2021
[j5]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): 5906-5922 (2021)
2010 – 2019
- 2017
- [j4]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): 1209-1228 (2017) - 2013
- [j3]Marcel Schumann, Roger S. Armen:
Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure. J. Comput. Chem. 34(14): 1258-1269 (2013) - 2012
- [j2]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): 758-771 (2012) - [c5]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: 1-8 - [c4]Trilce Estrada, Boyu Zhang, Michela Taufer, Pietro Cicotti, Roger S. Armen:
Reengineering High-throughput Molecular Datasets for Scalable Clustering Using MapReduce. HPCC-ICESS 2012: 351-359 - 2011
- [j1]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): 2047-2065 (2011) - [c3]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: 39-40 - [r1]Roger S. Armen, Eric R. May, Michela Taufer:
Protein Docking. Encyclopedia of Parallel Computing 2011: 1638-1647 - 2010
- [c2]Trilce Estrada, Roger S. Armen, Michela Taufer:
Automatic selection of near-native protein-ligand conformations using a hierarchical clustering and volunteer computing. BCB 2010: 204-213
2000 – 2009
- 2007
- [c1]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: 1-8
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