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

OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows users to easily add new features, including forces with novel functional forms, new integration algorithms, and new simulation protocols. Those features automatically work on all supported hardware type...

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Библиографические подробности
Опубликовано в: :PLoS Comput Biol
Главные авторы: Eastman, Peter, Swails, Jason, Chodera, John D., McGibbon, Robert T., Zhao, Yutong, Beauchamp, Kyle A., Wang, Lee-Ping, Simmonett, Andrew C., Harrigan, Matthew P., Stern, Chaya D., Wiewiora, Rafal P., Brooks, Bernard R., Pande, Vijay S.
Формат: Artigo
Язык:Inglês
Опубликовано: Public Library of Science 2017
Предметы:
Research Article
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC5549999/
https://ncbi.nlm.nih.gov/pubmed/28746339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1005659
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