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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |