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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...
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| Publicat a: | J Comput Chem |
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| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
John Wiley & Sons, Inc.
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6767508/ https://ncbi.nlm.nih.gov/pubmed/31099907 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25859 |
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