Multiconfigurational Coarse-Grained Molecular Dynamics

[Image: see text] Standard low resolution coarse-grained modeling techniques have difficulty capturing multiple configurations of protein systems. Here, we present a method for creating accurate coarse-grained (CG) models with multiple configurations using a linear combination of functions or “state...

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Pubblicato in:J Chem Theory Comput
Autori principali: Sharp, Morris E., Vázquez, Francisco X., Wagner, Jacob W., Dannenhoffer-Lafage, Thomas, Voth, Gregory A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2019
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6660024/
https://ncbi.nlm.nih.gov/pubmed/30897328
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01133
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