Abstract

With modern spectroscopic methods as two-dimensional infrared spectroscopy it is possible to obtain structural information and to follow dynamics on the femto- and picosecond timescales. The spectra are, however, difficult to interpret due to congestion and the possible influence of different competing processes. Therefore, modeling is crucial. A general procedure for simulating two-dimensional spectra will be outlined and examples of applications relating to protein structure and function will be given along with examples involving dynamics as excitation transfer.