Conformational preference of dipeptide zwitterions in aqueous solvents-Reference-Cited by-同舟云学术

Conformational preference of dipeptide zwitterions in aqueous solvents

Published:2024 Issue:10 Volume:26 Page:8210-8218
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Adasme-Carreño Francisco¹²^ORCID,Ochoa-Calle Alvaro³,Galván Marcelo³^ORCID,Ireta Joel³^ORCID

Affiliation:

1. Centro de Investigación de Estudios Avanzados del Maule (CIEAM), Vicerrectorá de Investigación y Postgrado Universidad Católica del Maule, Talca 3480112, Chile

2. Laboratorio de Bioinformática y Química Computacional (LBQC), Departamento de Medicina Traslacional, Facultad de Medicina, Universidad Católica del Maule, Talca 3480112, Chile

3. Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, Ciudad de México 09340, Mexico

Abstract

It is shown that the charge-asymmetric nonlocally determined local-electric solvation model (CANDLE) together with density functional theory adequately describes peptide zwitterions in aqueous solvents.

Funder

Consejo Nacional de Ciencia y Tecnología

Fondo Nacional de Desarrollo Científico y Tecnológico

Agencia Nacional de Investigación y Desarrollo

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05742A

Reference79 articles.

1. Microporous Organic Materials from Hydrophobic Dipeptides

2. Hierarchically oriented organization in supramolecular peptide crystals

3. Diverging conformations guide dipeptide self-assembly into crystals or hydrogels

4. The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's β-amyloid polypeptide

5. Diphenylalanine as a Reductionist Model for the Mechanistic Characterization of β-Amyloid Modulators