| 1 |
First-Principles Interaction Analysis Assessment of the Manganese Cation in the Catalytic Activity of Glycosyltransferases
Sladek V, Tvaroska I
Journal of Physical Chemistry B, 121(25), 6148, 2017 |
| 2 |
Exploring Reaction Pathways for O-GlcNAc Transferase Catalysis. A String Method Study
Kumari M, Kozmon S, Kuhanek P, Stepan J, Tvaroska I, Koca J
Journal of Physical Chemistry B, 119(12), 4371, 2015 |
| 3 |
Toward an Accurate Conformational Modeling of Iduronic Acid
Oborsky P, Tvaroska I, Kralova B, Spiwok V
Journal of Physical Chemistry B, 117(4), 1003, 2013 |
| 4 |
Substrate-Assisted Catalytic Mechanism of O-GIcNAc Transferase Discovered by Quantum Mechanics/Molecular Mechanics Investigation
Tvaroska I, Kozmon S, Wimmerova M, Koca J
Journal of the American Chemical Society, 134(37), 15563, 2012 |
| 5 |
Conformational Free Energy Surface of alpha-N-Acetylneuraminic Acid: An Interplay Between Hydrogen Bonding and Solvation
Spiwok V, Tvaroska I
Journal of Physical Chemistry B, 113(28), 9589, 2009 |
| 6 |
Hybrid Quantum Mechanical/Molecular Mechanical Investigation of the beta-1,4-Galactosyltransferase-I Mechanism
Krupicka M, Tvaroska I
Journal of Physical Chemistry B, 113(32), 11314, 2009 |
| 7 |
Catalytic mechanism of glycosyltransferases: Hybrid quantum mechanical/molecular mechanical study of the inverting N-acetylglucosaminyltransferase I
Kozmon S, Tvaroska I
Journal of the American Chemical Society, 128(51), 16921, 2006 |
| 8 |
Effects of the complexation by the Mg2+ cation on the stereochemistry of the sugar-diphosphate linkage. Ab initio modeling on nucleotide-sugars
Andre I, Tvaroska I, Carver JP
Journal of Physical Chemistry A, 104(19), 4609, 2000 |
| 9 |
Ab initio molecular orbital study of the catalytic mechanism of glycosyltransferases: Description of reaction pathways and determination of transition-state structures for inverting N-acetylglucosaminyltransferases
Tvaroska I, Andre I, Carver JP
Journal of the American Chemical Society, 122(36), 8762, 2000 |
| 10 |
Ab initio molecular orbital study of the conformational behavior of the sugar-phosphate linkage. Toward an understanding of the catalytic mechanism of glycosyltransferases
Tvaroska I, Andre I, Carver JP
Journal of Physical Chemistry B, 103(13), 2560, 1999 |
