Biopolymers and cell. 1994. Volume 10. № 2. 79 - 85

A. I. Yegorenkov

NUMERICAL SIMULATION OF LOCAL BASE PAIRS OPENING IN DNA MOLECULE

Summary

    The method of atom-atomic potentials has permitted to realize the numerical simulation of local base pairs opening in a trinucleotide model of B-form DNA molecule. Having used molecular dynamics calculation and also data concerning potential energy surfase topology adequate to a type of conformation flexibility studied here, the author has determined correlation degree for some types of DNA bases movements in any opening DNA bases pair and has shown the dependence of opening processes in a central nucleotide pair on nucleotide content of DNA duplex being studied.