Competition between dispersion interactions and conventional hydrogen bonding: insights from a theoretical study on Z-Arg-OH-Reference-Cited by-同舟云学术

Competition between dispersion interactions and conventional hydrogen bonding: insights from a theoretical study on Z-Arg-OH

Published:2019 Issue:32 Volume:21 Page:17893-17900
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Hongbao¹²³⁴⁵^ORCID,Wang Zhiqiang¹²³⁴⁵,Jiang Jun⁶⁷⁸⁴⁵^ORCID,Luo Yi⁶⁷⁸⁴⁵

Affiliation:

1. Institutes of Physical Science and Information Technology

2. Key Laboratory of Structure and Functional Regulation of Hybrid Materials

3. Ministry of Education. Anhui University

4. Hefei

5. China

6. Hefei National Laboratory for Physical Sciences at the Microscale

7. School of Chemistry and Materials Science

8. University of Science and Technology of China

Abstract

The dispersion interaction was reported to play a critical role in the stabilization of model dipeptide Z-Arg-OH, even greater than the conventional hydrogen bond (HB), which is opposite to the traditional opinion.

Funder

National Natural Science Foundation of China

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/C9CP03130H

Reference29 articles.

1. Accurate secondary structure prediction and fold recognition for circular dichroism spectroscopy

2. Identification of the smallest peptide with a zwitterion as the global minimum: a first-principles study on arginine-containing peptides

3. Proline and Water Stabilization of a Universal Two-Step Folding Mechanism for β-Turn Formation in Solution

4. First-Principles Study on Core-Level Spectroscopy of Arginine in Gas and Solid Phases

5. Hydrogen Bond Network between Amino Acid Radical Intermediates on the Proton-Coupled Electron Transfer Pathway of E. coli α2 Ribonucleotide Reductase

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