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Going beyond Clustering in MD Trajectory Analysis: An Application to Villin Headpiece Folding

Recent advances in computing technology have enabled microsecond long all-atom molecular dynamics (MD) simulations of biological systems. Methods that can distill the salient features of such large trajectories are now urgently needed. Conventional clustering methods used to analyze MD trajectories...

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Autori principali: Rajan, Aruna, Freddolino, Peter L., Schulten, Klaus
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2855342/
https://ncbi.nlm.nih.gov/pubmed/20419160
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0009890
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