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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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Autors principals: Rajan, Aruna, Freddolino, Peter L., Schulten, Klaus
Format: Artigo
Idioma:Inglês
Publicat: Public Library of Science 2010
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Accés en línia: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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