Ab initio and Molecular Dynamics Study of the Nanomechanical Properties of DNA Oligomers

Abstract

Although a vast amount of experimental information is available on the elongation, compression, and folding of proteins in biochemical processes, very little is known about the real structure and molecular dynamics of DNA at an atomic level. Since this area of work is relatively new, this paper reports the results of computer simulation of elongation and compression of B-DNA structures providing new insights into high- energy forms of DNA implicated in these processes.