Energy Transfer across Nonpolar and Polar Contacts in Proteins: Role of Contact Fluctuations

Molecular dynamics simulations of the villin headpiece subdomain HP36 have been carried out to examine relations between rates of vibrational energy transfer across non-covalently bonded contacts and equilibrium structural fluctuations, with focus on van der Waals contacts. Rates of energy transfer...

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Veröffentlicht in:	The journal of physical chemistry. B 2020-11, Vol.124 (44), p.9852-9861
Hauptverfasser:	Poudel, Humanath, Reid, Korey M, Yamato, Takahisa, Leitner, David M
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Biophysics Physical Chemistry of Biological Systems and Biomolecules Energy Transfer Hydrogen Bonding Molecular Dynamics Simulation Vibration
Online-Zugang:	Volltext
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