Abbreviated Journal Title
DENSITY-FUNCTIONAL THEORY; ABSORPTION; SPECTROSCOPY; MODEL; IR; Chemistry, Multidisciplinary
Herein, we report on the calculation and the comparative analysis of the theoretical two-photon circular dichroism (TPCD) spectra of L-histidine (His), L-phenylalanine (Phe), and L-tyrosine (Tyr) simulating residues in proteins with secondary structures (alpha-helix, beta-strand and random coil), down to the far-UV region (FUV). This work exposes unique signatures in the FUV for each conformer in each configuration. The outcomes of this research show how FUV-TPCD can be used to study peptide and protein structures in a region never evaluated before but packed with important structural information.
Vesga, Yuly; Diaz, Carlos; and Hernandez, Florencio E., "Theoretical study of two-photon circular dichroism on molecular structures simulating aromatic amino acid residues in proteins with secondary structures" (2014). Faculty Bibliography 2010s. 6231.