The electronic structure properties of 20 L-amino acids in neutral and zwitterion forms: Quantum-chemical calculations


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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.

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K. Scherbakov

Mari State University

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Email: kirill.soff@gmail.com
俄罗斯联邦, pl. Lenina 1, Yoshkar-Ola, 424000

M. Kondratiev

Institute of Cell Biophysics

Email: kirill.soff@gmail.com
俄罗斯联邦, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290

A. Samchenko

Institute of Cell Biophysics

Email: kirill.soff@gmail.com
俄罗斯联邦, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290

A. Kabanov

Institute of Cell Biophysics

Email: kirill.soff@gmail.com
俄罗斯联邦, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290

V. Komarov

Institute of Cell Biophysics

Email: kirill.soff@gmail.com
俄罗斯联邦, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290

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