About the Institute of Chemistry, SAS People at the Institute of Chemistry, SAS Research groups at the Institute of Chemistry, SAS Research at the Institute of Chemistry, SAS Products of the Institute of Chemistry, SAS

Senior Research Scientist

Director of Institute of Chemistry SAS

Tel.: +421-2-59410322
Tel.: +421-2-59410201
Fax.: +421-2-59410222
Research Interests
Structure-function relationship of biomolecules; the development of methods for the investigation of the three-dimensional shape of carbohydrates in solution; and a description of conformational properties of oligo- and polysaccharides in solution combining NMR measurements and molecular modelling; modelling of reaction mechanisms of glycosylhydrolases and glycosyltransferases; computer-aided drug design.
Selected Publications
L. Sihelnikova, I. Tvaroska
Step by step towards understanding gold glyconanoparticles as elements of the nanoworld.
Chem. Papers, 2007, 61, 237-255.
S. Kozmon, I. Tvaroska
Catalytic mechanism of glycosyltransferases: Hybrid quantum mechanical/molecular mechanical study of inverting N-acetylglucosaminyltransferase I.
J. Am. Chem. Soc., 2006, 128, 16921-16927.
I. Tvaroska
Molecular modeling of retaining glycosyltransferases.
NMR spectroscopy and computer modeling of carbohydrates: Recent advances
ACS Symposium Series, 2006, 930, 285-301.
I. Tvaroska
Structural Insights into the Catalytic Mechanism and Transition State of Glycosyltransferases using ab initio Molecular Modeling.
Trends Glycoscience Glycotechnology (TIGG), 2005, 17, 177-190.
M. Raab, S. Kozmon, and I. Tvaroska
Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational Behavior.
Carbohydr. Res. 2005, 340, 1051-1057.
F. R. Taravel, K. Mazeau, and I. Tvaroska
Computer Modeling of Polysaccharide-Polysaccharide Interactions. Polysaccharides: Structural Diversity and Functional Versatility.
(S. Dumitriu, ed.), Marcel Dekker, Inc., New York, 2004, Chapter 6, 281-304, ISBN: 0-8247-5480.
I. Tvaroska
Molecular modeling insights into the catalytic mechanism of the retaining galactosyltransferase LgtC.
Carbohydr. Res. 2004, 339, 1007-1014.
F. Peri, J. Jimenez-Barbero, V. Garcia-Aparicio, I. Tvaroska, and F. Nicotra
Synthesis and Conformational Analysis of Novel N(OCH3)-linked Disaccharide Analogues.
Chem. Eur. J. 2004, 10, 1433-1444.
T.-Y. Yen, B. A. Macher, S. Bryson, X. Chang, I. Tvaroska, R. Tse, S. Takeshita, A. M. Lew, and A. Datti
Highly Conserved Cysteines of Mouse Core 2 β1,6-N-Acetylglucosaminyltransferase I Form a Network of Disulfide Bonds and Include a Thiol That Affects Enzyme Activity.
J. Biol. Chem. 2003, 278, 45864-45881.
I. Tvaroška, I. Andre and J.P. Carver
Catalytic Mechanism of the Inverting N-acetylglucosaminyltransferase I: DFT Quantum Mechanical Study of the Raction Pathway and Determination of the Transition State Structure.
Glycobiology 2003, 13, 559-566.
I. André, I. Tvaroška, and J. P. Carver
On the Reaction Pathways and Determination of Transition State Structures for Retaining α-Galactosyltransferases.
Carbohydr. Res. 2003, 338, 867-879.
I. Tvaroska, F. R. Taravel, J. P. Utille, J. P. Carver
Quantum Mechanical and NMR Spectroscopy studies on the Conformations of the Hydroxymethyl and Methoxymethyl Groups in Aldohexosides.
Carbohydr. Res. 2002, 337, 353-367.
M. Rao and I. Tvaroska
Structure of Bovine α-1,3-Galactosyltransferase and its Complexes with UDP and DPGal Inferred from Molecular Modeling.
Proteins 2001, 44, 428-434.
Institute of Chemistry
Slovak Academy of Sciences