Publikationen von Tatiana Vasilevskaya

Decaneto, E.; Vasilevskaya, T.; Kutin, Y.; Ogata, H.; Grossman, M.; Sagi, I.; Havenith, M.; Lubitz, W.; Thiel, W.; Cox, N.: Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. Physical Chemistry Chemical Physics 19 (45), S. 30316 - 30331 (2017)

Pattni, V.; Vasilevskaya, T.; Thiel, W.; Heyden, M.: Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations. The Journal of Physical Chemistry B 121 (31), S. 7431 - 7442 (2017)

Vasilevskaya, T.; Thiel, W.: Periodic Boundary Conditions in QM/MM Calculations: Implementation and Tests. Journal of Chemical Theory and Computation 12 (8), S. 3561 - 3570 (2016)

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W.: Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2. Journal of Computational Chemistry 37 (19), S. 1801 - 1809 (2016)

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W.: Reaction mechanism of matrix metalloproteinases with a catalytically active zinc ion studied by the QM(DFTB)/MM simulations. Mendeleev Communications 26 (3), S. 209 - 211 (2016)

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W.: Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling. Journal of Computational Chemistry 36 (21), S. 1621 - 1630 (2015)