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Implicit Solvent Model for Million-Atom Atomistic Simulations: Insights into the Organization of 30-nm Chromatin Fiber

Molecular Dynamics (MD) simulations based on the implicit solvent generalized Born (GB) models can provide significant computational advantages over the traditional explicit solvent simulations. However, the standard GB becomes prohibitively expensive for all-atom simulations of large structures; th...

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Библиографические подробности
Опубликовано в: :J Chem Theory Comput
Главные авторы: Izadi, Saeed, Anandakrishnan, Ramu, Onufriev, Alexey V.
Формат: Artigo
Язык:Inglês
Опубликовано: 2016
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC5649046/
https://ncbi.nlm.nih.gov/pubmed/27748599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00712
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