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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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| Опубликовано в: : | J Chem Theory Comput |
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| Главные авторы: | , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2016
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| 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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