Depolarizing Effects in Hydrogen Bond Energy in 3(10)-Helices Revealed by Quantum Chemical Analysis

Hydrogen-bond (H-bond) energies in 3(10)-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 evaluated in detail fro...

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Detalles Bibliográficos
Autores principales: Kondo, Hiroko X., Nakamura, Haruki, Takano, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9409261/
https://www.ncbi.nlm.nih.gov/pubmed/36012292
http://dx.doi.org/10.3390/ijms23169032

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9409261/
https://www.ncbi.nlm.nih.gov/pubmed/36012292
http://dx.doi.org/10.3390/ijms23169032

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