SPATIAL AND ELECTRONIC STRUCTURE OF MONOMERIC AND DIMERIC COMPLEXES OF CARNOSINE WITH ZINC
S. D. Demukhamedova, I. N. Alieva, N. M. Godjayev
Keywords: biocarnosine, complex of carnosine with zinc, quantum chemical calculations
Pages: 860-869
Abstract
A molecular mechanics method in the ММ+ semi-empirical field potentials and a quantum chemical method in the РМ3 approximation are used to calculate the geometric and energy parameters of a biocarnosine molecule in two tautomeric forms of the imidazole ring. The electronic structures of monomeric and dimeric complexes of both carnosine forms with zinc are investigated.
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