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Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides.

A method is described for the inclusion of the effects of hydration in empirical conformational energy computations on polypeptides. The free energy of hydration is composed of additive contributions of various functional groups. The hydration of each group is assumed to be proportional to the acces...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Ooi, T, Oobatake, M, Némethy, G, Scheraga, H A
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 1987
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Online-Zugang:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC304812/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/3472198/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.84.10.3086
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