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Resampling improves the efficiency of a “fast-switch” equilibrium sampling protocol
We recently applied a multistage reweighting scheme to demonstrate the sampling of equilibrium configurational distributions of peptides from nonequilibrium, simulated annealing trajectories [E. Lyman and D. M. Zuckerman, J. Chem. Phys. 127, 065101 (2007)]. Here we demonstrate that a statistical var...
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| Asıl Yazarlar: | , |
|---|---|
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
American Institute of Physics
2009
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2671214/ https://ncbi.nlm.nih.gov/pubmed/19256587 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3081626 |
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