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Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations

[Image: see text] Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. B...

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Detalles Bibliográficos
Autores principales:	Sultan, Mohammad M., Kiss, Gert, Shukla, Diwakar, Pande, Vijay S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4263461/ https://www.ncbi.nlm.nih.gov/pubmed/25516725 http://dx.doi.org/10.1021/ct500353m

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