Wen-juan Zhao, J. Bandekar, S. Krimm
Oct 1, 1990
Citations
0
Influential Citations
10
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract We have obtained a simplified ab initio force field for diethyl disulfide, based on our previous scaled ab initio force field, which can be used in normal coordinate analysis of proteins containing the disulfide bridge. A normal coordinate analysis has been performed for diisobutyl disulfide in all possible conformations. The correlations thus obtained between the SS and CS stretch frequencies and the conformation are useful in understanding similar correlations in proteins containing the disulfide bridge. A simple way is presented to identify local C 2 symmetry in a disulfide bridge through Raman polarization studies.