Deep learning to decompose macromolecules into independent Markovian domains
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DOI: 10.1038/s41467-022-34603-z
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- 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 & Bernar, 2017. "OpenMM 7: Rapid development of high performance algorithms for molecular dynamics," PLOS Computational Biology, Public Library of Science, vol. 13(7), pages 1-17, July.
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- Yuxuan Zhuang & Rebecca J. Howard & Erik Lindahl, 2024. "Symmetry-adapted Markov state models of closing, opening, and desensitizing in α 7 nicotinic acetylcholine receptors," Nature Communications, Nature, vol. 15(1), pages 1-14, December.
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