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Solvation Free Energies of Alanine Peptides: The Effect of Flexibility

The electrostatic (ΔG(el)), van der Waals cavity-formation (ΔG(vdw)), and total (ΔG) solvation free energies for 10 alanine peptides ranging in length (n) from 1 to 10 monomers were calculated. The free energies were computed both with fixed, extended conformations of the peptides and again for some...

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Библиографические подробности
Главные авторы: Kokubo, Hironori, Harris, Robert C., Asthigiri, Dilipkumar, Pettitt, B. Montgomery
Формат: Artigo
Язык:Inglês
Опубликовано: 2013
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3913540/
https://ncbi.nlm.nih.gov/pubmed/24328358
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp409693p
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