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High-Resolution Visualisation of the States and Pathways Sampled in Molecular Dynamics Simulations

We have recently developed a scalable algorithm for ordering the instantaneous observations of a dynamical system evolving continuously in time. Here, we apply the method to long molecular dynamics trajectories. The procedure requires only a pairwise, geometrical distance as input. Suitable annotati...

詳細記述

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書誌詳細
主要な著者: Blöchliger, Nicolas, Vitalis, Andreas, Caflisch, Amedeo
フォーマット: Artigo
言語:Inglês
出版事項: Nature Publishing Group 2014
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC4151098/
https://ncbi.nlm.nih.gov/pubmed/25179558
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep06264
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