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Cluster Analysis of Molecular Simulation Trajectories for Systems where Both Conformation and Orientation of the Sampled States are Important

Clustering methods have been widely used to group together similar conformational states from molecular simulations of biomolecules in solution. For applications such as the interaction of a protein with a surface, the orientation of the protein relative to the surface is also an important clusterin...

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Библиографические подробности
Опубликовано в: :J Comput Chem
Главные авторы: Abramyan, Tigran M., Snyder, James A., Thyparambil, Aby A., Stuart, Steven J., Latour, Robert A.
Формат: Artigo
Язык:Inglês
Опубликовано: 2016
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4925300/
https://ncbi.nlm.nih.gov/pubmed/27292100
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24416
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