2003
Volume
3, Number 3/4, pp. 89–92
J. Kereselidze and M. Makaridze
Department of
Chemistry, Tbilisi State University, 3 Chavchavadze Ave, 0128 Tbilisi, Georgia
Quantum-chemical study of some physico-chemical properties and processes of transformation of the amino acids
The energy, electronic and structural characteristics
of the amino acids in proteins have been calculated by means of the
quantum-chemical semi-empirical method AM1. With the help of these parameters,
comparative characteristics of some physico-chemical properties of the amino
acids have been determined. New mechanisms for the formation of zwitterions and
peptides are proposed.
Keywords: amino acid, atomic charge, bond order, dipole moment,
enthalpy, peptide, quantum chemistry