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Exploring Protocols to Build Reservoirs to Accelerate Temperature Replica Exchange MD Simulations
Temperature Replica Exchange Molecular Dynamics (REMD) is a widely used enhanced sampling method for accelerating biomolecular simulations. During the past two decades, several variants of REMD have been developed to further improve the rate of conformational sampling of REMD. One such variant, Rese...
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| 發表在: | J Chem Theory Comput |
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| Main Authors: | , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2020
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7725893/ https://ncbi.nlm.nih.gov/pubmed/33142060 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00513 |
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