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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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| Publicado no: | Comput Phys Commun |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | 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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