Theoretical study of helical structure and chiral discrimination of cysteine dimer

The helical structure and chiral discrimination of cysteine dimer have been completely investigated in the present study using density functional theory method B3LYP at the 6-31G level. Three reasonable geometries on the potential energy hypersurface of the cysteine-cysteine system are considered with the global minimum. The optimized geometric parameters and interaction energies for various isomers at the 6-31G level are estimated.