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Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly(15)

Simulations and experiments show oligo-glycines, polypeptides lacking any side chains, can collapse in water. We assess the hydration thermodynamics of this collapse by calculating the hydration free energy at each of the end points of the reaction coordinate, here taken as the end-to-end distance (...

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Bibliografski detalji
Izdano u:J Phys Chem B
Glavni autori: Asthagiri, D., Karandur, Deepti, Tomar, Dheeraj S., Pettitt, B. Montgomery
Format: Artigo
Jezik:Inglês
Izdano: 2017
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5912879/
https://ncbi.nlm.nih.gov/pubmed/28774177
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.7b05469
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