Project title:
DNA Dichroism Calculations

My project is focused on computing the electronic excited states of nucleotide bases and parametrizing the relevant electronic states for excitation matrix method calculations.

The parameterization will be implemented in DichroCalc. The models of protein-DNA complexes, a series of DNA molecules of known solution phase structure and a series of model conformations, in which key geometric parameters are varied (e.g., shift, tilt, shear, buckle, slide, roll, etc.) will be focused on.