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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Comput Phys Commun
Prif Awduron: Gallicchio, Emilio, Xia, Junchao, Flynn, William F., Zhang, Baofeng, Samlalsingh, Sade, Mentes, Ahmet, Levy, Ronald M.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2015
Pynciau:
Article
Mynediad Ar-lein: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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