Parallel evolutionary algorithms for solving optimization problems in structural bioinformatics

Abstract

The paper presents an exploration of the scope of application of the evolutionary optimization algorithms in the problems in structural bioinformatics: prediction of three-dimensional peptide structure from amino acid sequence and peptide-protein docking. This paper presents the main assumptions that reduce the above-described tasks to the continuous global optimization problem and provides a way of using evolutionary optimization algorithms. The used scheme of parallel computations was described. The parallel realization of the considered algorithms was carried out. The paper presents the results of various numerical experiments and emphasizes the most effective. The prospect of using evolutionary algorithms in contemporary issues of structural bioinformatics was shown.