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OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
Peter Eastman, Jason Swails, John D. Chodera, Robert T. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande
doi: https://doi.org/10.1101/091801
Peter Eastman
1Department of Chemistry, Stanford University, Stanford, CA 94305
Jason Swails
2Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, NJ 08854
John D. Chodera
3Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065
Robert T. McGibbon
1Department of Chemistry, Stanford University, Stanford, CA 94305
Yutong Zhao
1Department of Chemistry, Stanford University, Stanford, CA 94305
Kyle A. Beauchamp
3Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065
4Current address: Counsyl Research, South San Francisco, CA 94080
Lee-Ping Wang
5Department of Chemistry, University of California, Davis, CA 95616
Andrew C. Simmonett
6Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, NY 10065
Matthew P. Harrigan
6Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, NY 10065
Chaya D. Stern
3Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065
6Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, NY 10065
Rafal P. Wiewiora
3Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065
6Tri-Institutional PhD Program in Chemical Biology, Memorial Sloan Kettering Cancer Center, New York, NY 10065
Bernard R. Brooks
7Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda MD 20892
Vijay S. Pande
1Department of Chemistry, Stanford University, Stanford, CA 94305
8Department of Computer Science, Stanford University, Stanford, CA 94305
Posted June 28, 2017.
OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
Peter Eastman, Jason Swails, John D. Chodera, Robert T. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande
bioRxiv 091801; doi: https://doi.org/10.1101/091801
OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
Peter Eastman, Jason Swails, John D. Chodera, Robert T. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande
bioRxiv 091801; doi: https://doi.org/10.1101/091801
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