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Optimal Coarse-Grained Site Selection in Elastic Network Models of Biomolecules

[Image: see text] Elastic network models, simple structure-based representations of biomolecules where atoms interact via short-range harmonic potentials, provide great insight into a molecule’s internal dynamics and mechanical properties at extremely low computational cost. Their efficiency and eff...

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Detalles Bibliográficos
Autores principales:	Diggins, Patrick, Liu, Changjiang, Deserno, Markus, Potestio, Raffaello
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6391041/ https://www.ncbi.nlm.nih.gov/pubmed/30514085 http://dx.doi.org/10.1021/acs.jctc.8b00654

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