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OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

Peter K. EastmanJason M. SwailsJohn D. ChoderaRobert McGibbonYutong ZhaoKyle BeauchampLee-Ping WangAndrew C. SimmonettMatthew P. HarriganChaya D. SternRafal P. WiewioraBernard R. BrooksVijay S. Pande
Published in: PLoS Comput. Biol. (2017)
Keyphrases
  • rapid development
  • molecular dynamics
  • parallel algorithm
  • data mining
  • distributed systems