The free energy landscape for β hairpin folding in explicit water

The folding free energy landscape of the C-terminal β hairpin of protein G has been explored in this study with explicit solvent under periodic boundary condition and oplsaa force field. A highly parallel replica exchange method that combines molecular dynamics trajectories with a temperature exchan...

Täydet tiedot

Bibliografiset tiedot

Julkaisussa:	Proc Natl Acad Sci U S A
Päätekijät:	Zhou, Ruhong, Berne, Bruce J., Germain, Robert
Aineistotyyppi:	Artigo
Kieli:	Inglês
Julkaistu:	National Academy of Sciences 2001
Aiheet:	Biological Sciences
Linkit:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC64961/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11752441/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.201543998
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