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Large Scale Asynchronous and Distributed Multi-Dimensional Replica Exchange Molecular Simulations and Efficiency Analysis
We describe methods to perform replica exchange molecular dynamics (REMD) simulations asynchronously (ASyncRE). The methods are designed to facilitate large scale REMD simulations on grid computing networks consisting of heterogeneous and distributed computing environments as well as on homogeneous...
Shranjeno v:
| izdano v: | J Comput Chem |
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| Main Authors: | , , , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2015
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4512903/ https://ncbi.nlm.nih.gov/pubmed/26149645 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23996 |
| Oznake: |
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