Within this CRC/SFB, we employ molecular dynamics and quantum-classical approaches to explore the interaction between RNA and small ligand species like photoswitches that act in a regulatory fashion.
Recent publications include:
In search of an efficient photoswitch for functional RNA:
Design principles from a microscopic analysis of
azobenzene-linker-RNA dynamics with different linkers
P. Mondal, M. Biswas, T. Goldau, A. Heckel, I. Burghardt
J. Phys. Chem. B, 119, 11275 (2015)
doi: 10.1021/acs.jpcb.5b03118
Reversible photoswitching of RNA hybridization at room
temperature with an azobenzene C-nucleoside
T. Goldau, K. Murayama, C. Brieke, S. Steinwand, P. Mondal,
M. Biswas, I. Burghardt, J. Wachtveitl, H. Asanuma, A. Heckel,
Chem. Eur. J., Chem. Eur. J. 21, 2845 (2015)
doi: 10.1002/chem.201405840
Azobenzene photoisomerization induced destabilization of B-DNA
M. Biswas, I. Burghardt,
Biophys. J., 107, 932 (2014)
doi: 10.1016/j.bpj.2014.06.044
Molecular dynamics study of the controlled destabilization of
an RNA hairpin structure by a covalently attached azobenzene switch,
D. Rastaedter, M. Biswas, I. Burghardt,
J. Phys. Chem. B, 118, 8478 (2014)
doi: 10.1021/jp501399k
Ultrafast C-spiro-O dissociation via a conical
intersection drives spiropyran to merocyanine photoswitching
S. Prager, I. Burghardt, A. Dreuw,
J. Phys. Chem. A, 118, 1339 (2014)
doi: 10.1021/jp4088942
