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Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits

Traditional coarse-graining based on a reduced number of interaction sites often entails a significant sacrifice of chemical accuracy. As an alternative, we present a method for simulating large systems composed of interacting macromolecules using an energy tabulation strategy previously devised for...

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Détails bibliographiques
Publié dans:J Chem Phys
Auteurs principaux: Spiriti, Justin, Zuckerman, Daniel M.
Format: Artigo
Langue:Inglês
Publié: AIP Publishing LLC 2015
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4698120/
https://ncbi.nlm.nih.gov/pubmed/26723644
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4938479
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