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Circular dichroism calculation for random‐coil polypeptide chains
Author(s) -
Zubkov V. A.,
Birshtein T. M.,
Milevskaya I. S.,
Volkenstein M. V.
Publication year - 1971
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360101102
Subject(s) - random coil , circular dichroism , chemistry , wavelength , exciton , monte carlo method , electromagnetic coil , polymer , crystallography , molecular physics , condensed matter physics , physics , optics , quantum mechanics , organic chemistry , statistics , mathematics
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.
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