Circular dichroism calculation for random‐coil polypeptide chains

Abstract

Abstract A method of calculation of the circular dichroism (CD) of random‐coil polypeptides has been developed by means of a Monte‐Carlo approach to the treatment of statistical systems and exciton theory of optical activity of polymers. The contribution of π–π * and n –π * amide transitions to the CD has been taken into account. The π–π * transition gives rise to two CD bands: a negative short‐wavelength band and a weak positive long‐wavelength one. The n –π * transition gives rise to one negative CD band.