More information on the web pages of Vojtěch Spiwok
Afiliation: University of Chemistry and Technology, Prague, CZ-166 28 Prague 6, Czech Republic
Research Interests:
Molecular modelling
Free energy calculations, metadynamics
Structural bioinformatics
Glycochemistry
Five selected papers
Z. Šućur, V. Spiwok: Sampling enhancement and free energy prediction by Flying Gaussian method. J. Chem. Theory Comput. 2016, 12(9), 4644-4650.
V. Spiwok, Z. Šućur, P. Hošek: Enhanced sampling techniques in biomolecular simulations. Biotech. Adv. 2015, 6 pt 2, 1130-1140.
S. Kozmon, R. Matuška, V. Spiwok, J. Koča: Three-dimensional potential energy surface of selected carbohydrates’ CH/pi dispersion interactions calculated by high-level quantum mechanical methods. Chem. Eur. J. 2011, 17(20) 5680–5690.
T. Skálová, J. Dohnálek, V. Spiwok, P. Lipovová, E. Vondráčková, H. Petroková, J. Dušková, H. Strnad, B. Králová, J. Hašek: Cold-active beta-galactosidase from Arthrobacter sp. C2-2 forms compact 660 kDa hexamers: Crystal structure at 1.9 Å resolution. J. Mol. Biol. 2005, 353(2) 282–294.
V. Spiwok, P. Lipovová, T. Skálová, E. Buchtelová, J. Hašek, B. Králová: Role of CH/π interactions in substrate binding by Escherichia coli beta-galactosidase. Carbohydr. Res. 2004, 339(13) 2275–2280.