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Carbohydrate Research|March 11, 2004
Molecular modeling insights into the catalytic mechanism of the retaining galactosyltransferase LgtCIgor TvaroskaJournal of the American Chemical Society|December 21, 2006
Catalytic mechanism of glycosyltransferases: hybrid quantum mechanical/molecular mechanical study of the inverting N-acetylglucosaminyltransferase IStanislav Kozmon, Igor TvaroskaThe Journal of Physical Chemistry. B|April 21, 2009
Conformational free energy surface of alpha-N-acetylneuraminic acid: an interplay between hydrogen bonding and solvationVojtech Spiwok, Igor TvaroskaCarbohydrate Research|June 23, 2009
Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosidesVojtech Spiwok, Igor TvaroskaThe Journal of Physical Chemistry. B|July 25, 2009
Hybrid quantum mechanical/molecular mechanical investigation of the beta-1,4-galactosyltransferase-I mechanismMartin Krupicka, Igor TvaroskaJournal of Molecular Modeling|July 18, 2008
Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changesVojtech Spiwok, Blanka Králová, Igor TvaroskaCarbohydrate Research|March 23, 2005
Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational behaviorMichal Raab, Stanislav Kozmon, Igor TvaroskaCarbohydrate Research|January 8, 2010
Modelling of beta-D-glucopyranose ring distortion in different force fields: a metadynamics studyVojtech Spiwok, Blanka Králová, Igor TvaroskaGlycobiology|April 4, 2003
Catalytic mechanism of the inverting N-acetylglucosaminyltransferase I: DFT quantum mechanical model of the reaction pathway and determination of the transition state structureIgor Tvaroska, Isabelle André, Jeremy P CarverCarbohydrate Research|April 19, 2003
On the reaction pathways and determination of transition-state structures for retaining alpha-galactosyltransferasesIsabelle André, Igor Tvaroska, Jeremy P CarverPageof 2