Paper Citing NAMD - Abstract
Li, Zhenyu; Abramavicius, Darius; Zhuang, Wei; Mukamel, Shaul
Two-dimensional electronic correlation spectroscopy of the n pi* and pi pi* protein backbone transitions: A simulation study
CHEMICAL PHYSICS, 341:29-36, NOV 15 2007
The two-dimensional (2D) photon echo spectrum of the amide ultraviolet (UV) bands of proteins are simulated. Two effective exciton Hamiltonian parameter sets developed by Woody and by Hirst, which predict similar CD spectra, may be distinguished by their very different 2DUV spectra. These differences are enhanced in specific configurations of pulse polarizations which provide chirality-induced signals. Published by Elsevier B.V.
