OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation-Reference-Cited by-同舟云学术

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

Published:2012-11-07 Issue:1 Volume:9 Page:461-469
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Eastman Peter¹,Friedrichs Mark S.¹,Chodera John D.²,Radmer Randall J.³,Bruns Christopher M.⁴,Ku Joy P.¹,Beauchamp Kyle A.⁵,Lane Thomas J.⁶,Wang Lee-Ping⁶,Shukla Diwakar⁶,Tye Tony⁷,Houston Mike⁷,Stich Timo⁸,Klein Christoph⁹,Shirts Michael R.⁹,Pande Vijay S.⁶¹⁰

Affiliation:

1. Department of Bioengineering, Stanford University, Stanford, California 94035, United States

2. California Institute for Quantitative Biosciences (QB3), University of California, Berkeley, California 94720, United States

3. SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States

4. Howard Hughes Medical Institute, Janelia Farm Research Campus, Ashburn, Virginia 20147, United States

5. Biophysics Program, Stanford University, Stanford, California 94035, United States

6. Department of Chemistry, Stanford University, Stanford, California 94035, United States

7. Advanced Micro Devices, Sunnyvale, California 94088, United States

8. NVIDIA GmbH, Wuerselen, Germany

9. Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia 22904, United States

10. Department of Computer Science, Stanford University, Stanford, California 94035, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300857j

Reference48 articles.

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2. CHARMM: The biomolecular simulation program

3. Scalable molecular dynamics with NAMD

4. General purpose molecular dynamics simulations fully implemented on graphics processing units

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