Thermodynamic-Biochemical Study of Complexes of Intermediate Elements with α-Amino Acids in Some Proteins with Active Site

Document Type: Research Paper


Department of Chemistry, School of Engineering, Presidency University, Bengaluru-560064, India.


In this paper, the quantum chemistry calculations related to the structural parameter of the chromite and molybdate anions and the complexes obtained from them with the glycine and alanine amino acids were performed. The calculations were carried out using HF and DFT methods and in the base series 6-31G *. Thermodynamic studies related to the formation of complexes have been considered and their equilibrium constant has been calculated. Finally, by comparing the thermodynamic factors, the stability of the complexes was determined relative to each other.