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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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Detaylı Bibliyografya
Asıl Yazarlar: Babin, Volodymyr, Roland, Christopher, Darden, Thomas A., Sagui, Celeste
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2006
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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