Conformational Rearrangements of Polyampholytic Polypeptides on Metal Nanoparticle Surface in Microwave Electric Field: Molecular-Dynamics Simulation
N. Yu. Kruchinin, М. Г. Кучеренко
Abstract
Abstract Molecular dynamics has been employed to study conformational rearrangements of polyampholytic polypeptides adsorbed on the surface of a metal nanoparticle, with the rearrangements being caused by changes in the direction of particle polarization at a frequency corresponding to microwave electric field. The time dependences of the dipole moments, as well the radial and angular density distributions of adsorbed polypeptide atoms upon the prepolarization of the nanoparticle, have been calculated. The rearrangements occurring in the conformational structure of a polyampholytic polypeptide adsorbed on the nanoparticle upon periodic changes in the particle polarization direction are accompanied by two effects: fluctuations in the conformational structure of the polypeptide and the formation of a ring of macromolecules in the equatorial region of the nanoparticle.