QAARM: quasi-anharmonic autoregressive model reveals molecular recognition pathways in ubiquitin

Motivation: Molecular dynamics (MD) simulations have dramatically improved the atomistic understanding of protein motions, energetics and function. These growing datasets have necessitated a corresponding emphasis on trajectory analysis methods for characterizing simulation data, particularly since...

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Hlavní autoři: Savol, Andrej J., Burger, Virginia M., Agarwal, Pratul K., Ramanathan, Arvind, Chennubhotla, Chakra S.
Médium: Artigo
Jazyk:Inglês
Vydáno: Oxford University Press 2011
Témata:
Ismb/Eccb 2011 Proceedings Papers Committee July 17 to July 19, 2011, Vienna, Austria
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3117343/
https://ncbi.nlm.nih.gov/pubmed/21685101
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btr248
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