Polarization of amino acids and their interaction in biomolecules

Research paper by A. V. Mitin

Indexed on: 16 Nov '10Published on: 16 Nov '10Published in: JETP Letters


It has been shown that amino acids in biomolecules are mutually polarized similar to atoms in molecules and their polarization depends on their mutual coordination. The importance of this effect for the correct description of the Coulomb interaction in biomolecules has been shown in the calculations of the relative energies of the conformers of biomolecules by the force field method with the known functionals. Ignoring this effect leads to qualitatively incorrect relative energies of the biomolecular conformers.