Email this article The electronic structure properties of 20 L-amino acids in neutral and zwitterion forms: Quantum-chemical calculations
- Authors: Scherbakov K.A.1, Kondratiev M.S.2, Samchenko A.A.2, Kabanov A.V.2, Komarov V.M.2
-
Affiliations:
- Mari State University
- Institute of Cell Biophysics
- Issue: Vol 61, No 3 (2016)
- Pages: 361-372
- Section: Molecular Biophysics
- URL: https://ogarev-online.ru/0006-3509/article/view/151985
- DOI: https://doi.org/10.1134/S0006350916030167
- ID: 151985
Cite item
Open Access
Access granted
Subscription Access
Abstract
The conformational diversity of the 20 DNA-encoded proteinogenic amino acids and their zwitterions in the gaseous state and in the state with the first hydration shell was analyzed using the PM3 and PM7 semi-empirical quantum-chemistry programs.
About the authors
K. A. Scherbakov
Mari State University
Author for correspondence.
Email: kirill.soff@gmail.com
Russian Federation, pl. Lenina 1, Yoshkar-Ola, 424000
M. S. Kondratiev
Institute of Cell Biophysics
Email: kirill.soff@gmail.com
Russian Federation, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290
A. A. Samchenko
Institute of Cell Biophysics
Email: kirill.soff@gmail.com
Russian Federation, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290
A. V. Kabanov
Institute of Cell Biophysics
Email: kirill.soff@gmail.com
Russian Federation, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290
V. M. Komarov
Institute of Cell Biophysics
Email: kirill.soff@gmail.com
Russian Federation, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290
Supplementary files
