Reconstruction of Protein-Like Globular Structure for Random and Designed Copolymers

Abstract

Full Paper: We present the results of computer simulation of Langevin dynamics of AB-copolymer coil-globule transition. The method for estimation of the quality of reconstruction of protein-like globular structure after cooling procedure is proposed. We study specially designed “protein-like” and random primary sequences and carry out a comparative analysis of the corresponding globular conformations for different intramolecular interactions. It is found that the energy of intramolecular interactions, as well as the type of primary sequence, are important in the process of parent globular structure reconstruction. As a rule, protein-like sequences exhibit better reconstruction of initial globular structure after cooling procedure. There is a region of energy parameters enabling optimum reconstruction of initial globular structure.