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Efficacy of Independence Sampling in Replica Exchange Simulations of Ordered and Disordered Proteins
Recasting temperature replica exchange (T-RE) as a special case of Gibbs sampling has led to a simple and efficient scheme for enhanced mixing (Chodera and Shirts, 2011). To critically examine if T-RE with independence sampling (T-REis) improves conformational sampling, we performed T-RE and T-REis...
Shranjeno v:
| izdano v: | J Comput Chem |
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| Main Authors: | , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2017
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5752115/ https://ncbi.nlm.nih.gov/pubmed/28841239 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24923 |
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