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Markov State Model Reveals Folding and Functional Dynamics in Ultra-Long MD Trajectories

Two strategies have been recently employed to push molecular simulation to long, biologically relevant timescales: projection-based analysis of results from specialized hardware producing a small number of ultra-long trajectories and the statistical interpretation of massive parallel sampling perfor...

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書誌詳細
主要な著者: Lane, Thomas J., Bowman, Gregory R., Beauchamp, Kyle, Voelz, Vincent A., Pande, Vijay S.
フォーマット: Artigo
言語:Inglês
出版事項: 2011
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3227799/
https://ncbi.nlm.nih.gov/pubmed/21988563
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja207470h
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