Publikationen von Tatiana Vasilevskaya
Alle Typen
Zeitschriftenartikel (6)
2017
Zeitschriftenartikel
19 (45), S. 30316 - 30331 (2017)
Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. Physical Chemistry Chemical Physics
Zeitschriftenartikel
121 (31), S. 7431 - 7442 (2017)
Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations. The Journal of Physical Chemistry B 2016
Zeitschriftenartikel
12 (8), S. 3561 - 3570 (2016)
Periodic Boundary Conditions in QM/MM Calculations: Implementation and Tests. Journal of Chemical Theory and Computation
Zeitschriftenartikel
37 (19), S. 1801 - 1809 (2016)
Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2. Journal of Computational Chemistry
Zeitschriftenartikel
26 (3), S. 209 - 211 (2016)
Reaction mechanism of matrix metalloproteinases with a catalytically active zinc ion studied by the QM(DFTB)/MM simulations. Mendeleev Communications 2015
Zeitschriftenartikel
36 (21), S. 1621 - 1630 (2015)
Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling. Journal of Computational Chemistry