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Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach
Hydrogen‐bond (H‐bond) interaction energies in α‐helices of short alanine peptides were systematically examined by precise density functional theory calculations, followed by a molecular tailoring approach. The contribution of each H‐bond interaction in α‐helices was estimated in detail from the ent...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6767508/ https://www.ncbi.nlm.nih.gov/pubmed/31099907 http://dx.doi.org/10.1002/jcc.25859 |