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Exploring the Energy Landscape of Protein Folding using Replica-Exchange and Conventional Molecular Dynamics Simulations
Two independent replica-exchange molecular dynamics (REMD) simulations with an explicit water model were performed of the Trp-cage mini-protein. In the first REMD simulation, the replicas started from the native conformation, while in the second they started from a nonnative conformation. Initially,...
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| Main Authors: | , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2006
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1945213/ https://ncbi.nlm.nih.gov/pubmed/17113307 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jsb.2006.10.002 |
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