Rationalizing the diversity of amide–amide H-bonding in peptides using the natural bond orbital method-Reference-Cited by-同舟云学术

Rationalizing the diversity of amide–amide H-bonding in peptides using the natural bond orbital method

Published:2019 Issue:44 Volume:21 Page:24601-24619
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Brenner Valérie¹²³⁴⁵^ORCID,Gloaguen Eric¹²³⁴⁵^ORCID,Mons Michel¹²³⁴⁵^ORCID

Affiliation:

1. LIDYL

2. CEA

3. CNRS

4. Université Paris-Saclay

5. 9119 Gif-sur-Yvette

Abstract

Natural bond orbital (NBO) analysis of electron delocalization in a series of capped isolated peptides is used to diagnose amide–amide H-bonding and backbone-induced hyperconjugative interactions, and to rationalize their spectral effects.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03825F

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2. The Protein-Folding Problem, 50 Years On

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5. Structure and Energetics of the Hydrogen-Bonded Backbone in Protein Folding

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