Roger S. Armen

According to our database, Roger S. Armen authored at least 11 papers between 2007 and 2021.

Collaborative distances:

• Dijkstra number of three.
• Erdős number of four.

2021

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

2017

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

2013

Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure.

Marcel Schumann, Roger S. Armen

J. Comput. Chem., 2013

2012

A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.

Trilce Estrada, Boyu Zhang, Pietro Cicotti, Roger S. Armen, Michela Taufer

Comput. Biol. Medicine, 2012

Reengineering High-throughput Molecular Datasets for Scalable Clustering Using MapReduce.

Trilce Estrada, Boyu Zhang, Michela Taufer, Pietro Cicotti, Roger S. Armen

Proceedings of the 14th IEEE International Conference on High Performance Computing and Communication & 9th IEEE International Conference on Embedded Software and Systems, 2012

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

Proceedings of the 8th IEEE International Conference on E-Science, 2012

2011

Protein Docking.

Roger S. Armen, Eric R. May, Michela Taufer

Proceedings of the Encyclopedia of Parallel Computing, 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

Poster: study of protein-ligand binding geometries using a scalable and accurate octree-based algorithm in mapReduce.

Trilce Estrada, Boyu Zhang, Pietro Cicotti, Roger S. Armen, Michela Taufer

Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, 2011

2010

Automatic selection of near-native protein-ligand conformations using a hierarchical clustering and volunteer computing.

Trilce Estrada, Roger S. Armen, Michela Taufer

Proceedings of the First ACM International Conference on Bioinformatics and Computational Biology, 2010

2007

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

Proceedings of the 21th International Parallel and Distributed Processing Symposium (IPDPS 2007), 2007