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The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling corrections
There is considerable interest in developing methodologies for the accurate evaluation of free energies, especially in the context of biomolecular simulations. Here, we report on a reexamination of the recently developed metadynamics method, which is explicitly designed to probe “rare events” and ar...
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| Asıl Yazarlar: | , , , |
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| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
2006
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2080830/ https://ncbi.nlm.nih.gov/pubmed/17144742 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2393236 |
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