Molecular Dynamics Simulation Study of Denaturation of Protein Under the Influence of Electric Field

Abstract

The present study investigated the effect of static electric field on the structural changes in the Ubiquitin protein using molecular dynamics simulations. Structural transitions of Ubiquitin are observed under the influence of an electric field such that at a higher electric field, helix and sheets turn into coil and the protein gets stretched and unfolded. The RMSD variation with respect to time clearly shows that the larger the electric field strength, the more rapid structural transition is observed. Increased value of dipole moment for higher electric field supports the charge re-distribution and thus the unfolding of Ubiquitin under the influence of the electric field.