Creation of a hypothetical computer model of organic forms of microelements

The article presents the results of studies on the creation of a hypothetical computer model with the form of iodine, zinc and selenium with low molecular weight peptides. Soy protein hydrolyzate was used as an organic carrier. With the help of the HyperChem v8.0 application, using quantum-chemical, semi-empirical, and molecular-dynamic methods, molecular properties were studied, and quantum-mechanical modeling of atomic structures was carried out. Molecular structures as well as their geometric optimization have been created. All possible variants and combinations of compounds of zinc, iodine and selenium with four proteins were considered. The evidence of the correctness of geometric optimization, minimization of potential energy and balance of the energy properties of the system was the value of the total energy of the studied components. The results obtained indicate the possibility of binding trace elements with amino acids.