Depolarizing Effects in Hydrogen Bond Energy in 3<sub>10</sub>-Helices Revealed by Quantum Chemical Analysis

Depolarizing Effects in Hydrogen Bond Energy in 3<sub>10</sub>-Helices Revealed by Quantum Chemical Analysis

Hydrogen-bond (H-bond) energies in 3<sub>10</sub>-helices of short alanine peptides were systematically examined by precise DFT calculations with the negative fragmentation approach (NFA), a modified method based on the molecular tailoring approach. The contribution of each H-bond was ev...

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Bibliographic Details
Main Authors:	Hiroko X. Kondo, Haruki Nakamura, Yu Takano
Format:	Article
Language:	English
Published:	MDPI AG 2022-08-01
Series:	International Journal of Molecular Sciences
Subjects:	3<sub>10</sub>-helix hydrogen bond energy density functional theory negative fragmentation analysis
Online Access:	https://www.mdpi.com/1422-0067/23/16/9032

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