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Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing
Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment...
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| 出版年: | Comput Phys Commun |
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| 主要な著者: | , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2015
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4834714/ https://ncbi.nlm.nih.gov/pubmed/27103749 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2015.06.010 |
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