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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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Dades bibliogràfiques
Publicat a:PLoS Comput Biol
Autors principals: 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.
Format: Artigo
Idioma:Inglês
Publicat: Public Library of Science 2017
Matèries:
Accés en línia: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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