Works by Tvaroška, Igor

Results: 26

Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review.

Published in:

Molecules, 2020, v. 25, n. 12, p. 2835, doi. 10.3390/molecules25122835

By:

Tvaroška, Igor;
Selvaraj, Chandrabose;
Koča, Jaroslav;
McPhee, Derek J.;
Somsák, László

Publication type:

Article

Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2.

Published in:

PLoS Computational Biology, 2015, v. 11, n. 4, p. 1, doi. 10.1371/journal.pcbi.1004061

By:

Trnka, Tomáš;
Kozmon, Stanislav;
Tvaroška, Igor;
Koča, Jaroslav

Publication type:

Article

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-09691-z

By:

Streltsov, Victor A.;
Luang, Sukanya;
Peisley, Alys;
Varghese, Joseph N.;
Cairns, James R. Ketudat;
Fort, Sebastien;
Hijnen, Marcel;
Tvaroška, Igor;
Ardá, Ana;
Jiménez-Barbero, Jesús;
Alfonso-Prieto, Mercedes;
Rovira, Carme;
Mendoza, Fernanda;
Tiessler-Sala, Laura;
Sánchez-Aparicio, José-Emilio;
Rodríguez-Guerra, Jaime;
Lluch, José M.;
Maréchal, Jean-Didier;
Masgrau, Laura;
Hrmova, Maria

Publication type:

Article

Synthesis and Conformational Analysis of Novel N(OCH<sub>3</sub>)-linked Disaccharide Analogues.

Published in:

Chemistry - A European Journal, 2004, v. 10, n. 6, p. 1433, doi. 10.1002/chem.200305587

By:

Francesco Peri;
Jesús JiménezBarbero;
Víctor GarcíaAparicio;
Igor Tvaroška;
Francesco Nicotra

Publication type:

Article

Theoretical studies on the conformation of saccharides. IV. Solvent effect on the stability of β-maltose conformers.

Published in:

Biopolymers, 1982, v. 21, n. 9, p. 1887, doi. 10.1002/bip.360210915

By:

Tvaroška, Igor

Publication type:

Article

Incorporation of lone pairs into the electrostatic term in the empirical intra- and intermolecular energy calculations.

Published in:

Biopolymers, 1979, v. 18, n. 10, p. 2537, doi. 10.1002/bip.1979.360181012

By:

Tvaroška, Igor;
Bleha, Tomáš

Publication type:

Article

Atomistic simulation of carbohydrate-protein complex formation: Hevein-32 domain.

Published in:

Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-53815-w

By:

Solanke, Charles Oluremi;
Trapl, Dalibor;
Šućur, Zoran;
Mareška, Václav;
Tvaroška, Igor;
Spiwok, Vojtěch

Publication type:

Article

Enantioselective Epoxidation of Electrophilic Olefins by Using Glycosyl Hydroperoxides.

Published in:

Chemistry - A European Journal, 2008, v. 14, n. 20, p. 6087, doi. 10.1002/chem.200800051

By:

Kośnik, Wioletta;
Bocian, Wojciech;
Kozerski, Lech;
Tvaroška, Igor;
Chmielewski, Marek

Publication type:

Article

Theoretical studies on the conformation of saccharides. XIV. Structure and conformational properties of the glycosylamines.

Published in:

Biopolymers, 1990, v. 29, n. 12/13, p. 1531, doi. 10.1002/bip.360291204

By:

Kožár, Tibor;
Tvaroška, Igor

Publication type:

Article

Theoretical studies on the conformation of saccharides. VIII. Solvent effect on the stability of β-cellobiose conformers.

Published in:

Biopolymers, 1984, v. 23, n. 10, p. 1951, doi. 10.1002/bip.360231011

By:

Tvaroška, Igor

Publication type:

Article

Conformational analysis of oligosaccharides in solution.

Published in:

International Journal of Quantum Chemistry, 1989, v. 35, n. 1, p. 141, doi. 10.1002/qua.560350108

By:

Tvaroška, Igor

Publication type:

Article

Theoretical studies on the conformation of saccharides. V. Hydration of the acetal segment in glycosides.

Published in:

International Journal of Quantum Chemistry, 1983, v. 23, n. 2, p. 765, doi. 10.1002/qua.560230245

By:

Tvaroška, Igor;
Kožár, Tibor

Publication type:

Article

Molecular Orbital Investigations on Lignin Model Compounds.

Published in:

Holzforschung: International Journal of the Biology, Chemistry, Physics, & Technology of Wood, 1987, v. 41, n. 6, p. 371

By:

Remko, Milan;
Tvaroška, Igor

Publication type:

Article

A QM/MM Investigation of the Catalytic Mechanism of Metal-Ion-Independent Core 2 β1,6- N-Acetylglucosaminyltransferase.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 25, p. 8153, doi. 10.1002/chem.201300383

By:

Tvaroška, Igor;
Kozmon, Stanislav;
Wimmerová, Michaela;
Koča, Jaroslav

Publication type:

Article

How <italic>Mycobacterium tuberculosis</italic> Galactofuranosyl Transferase 2 (GlfT2) Generates Alternating β‐(1–6) and β‐(1–5) Linkages: A QM/MM Molecular Dynamics Study of the Chemical Steps.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 27, p. 7051, doi. 10.1002/chem.201800558

By:

Janoš, Pavel;
Kozmon, Stanislav;
Tvaroška, Igor;
Koča, Jaroslav

Publication type:

Article

Molecular Modeling Insights into the Structure and Behavior of Integrins: A Review.

Published in:

Cells (2073-4409), 2023, v. 12, n. 2, p. 324, doi. 10.3390/cells12020324

By:

Tvaroška, Igor;
Kozmon, Stanislav;
Kóňa, Juraj

Publication type:

Article

Glycosylation Modulates the Structure and Functions of Collagen: A Review.

Published in:

Molecules, 2024, v. 29, n. 7, p. 1417, doi. 10.3390/molecules29071417

By:

Tvaroška, Igor

Publication type:

Article

Pan-selectin inhibitors as potential therapeutics for COVID-19 treatment: in silico screening study.

Published in:

Glycobiology, 2021, v. 31, n. 8, p. 975, doi. 10.1093/glycob/cwab021

By:

Šmak, Pavel;
Chandrabose, Selvaraj;
Tvaroška, Igor;
Koča, Jaroslav

Publication type:

Article

Three-dimensional homologymodel of GlcNAc-TV glycosyltransferase.

Published in:

Glycobiology, 2016, v. 26, n. 7, p. 757, doi. 10.1093/glycob/cww010

By:

Janoš, Pavel;
Kozmon, Stanislav;
Tvaroška, Igor;
Koča, Jaroslav

Publication type:

Article

Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme.

Published in:

Glycobiology, 2015, v. 25, n. 1, p. 3, doi. 10.1093/glycob/cwu085

By:

Bobovská, Adela;
Tvaroška, Igor;
Kóňa, Juraj

Publication type:

Article

Structure-Activity Relationships of Glycogen Phosphorylase Inhibitor FR258900 and Its Analogues: A Combined Synthetic, Enzyme Kinetics, and Computational Study.

Published in:

2014

By:

Juhász, László;
Varga, Gergely;
Sztankovics, Andrea;
Béke, Ferenc;
Docsa, Tibor;
Kiss‐Szikszai, Attila;
Gergely, Pál;
Kóňa, Juraj;
Tvaroška, Igor;
Somsák, László

Publication type:

Other

Structure-Activity Relationships of Glycogen Phosphorylase Inhibitor FR258900 and Its Analogues: A Combined Synthetic, Enzyme Kinetics, and Computational Study.

Published in:

ChemPlusChem, 2014, v. 79, n. 11, p. 1558, doi. 10.1002/cplu.201402181

By:

Juhász, László;
Varga, Gergely;
Sztankovics, Andrea;
Béke, Ferenc;
Docsa, Tibor;
Kiss‐Szikszai, Attila;
Gergely, Pál;
Kóňa, Juraj;
Tvaroška, Igor;
Somsák, László

Publication type:

Article

Cover Picture: Structure-Activity Relationships of Glycogen Phosphorylase Inhibitor FR258900 and Its Analogues: A Combined Synthetic, Enzyme Kinetics, and Computational Study (ChemPlusChem 11/2014).

Published in:

ChemPlusChem, 2014, v. 79, n. 11, p. 1535, doi. 10.1002/cplu.201402403

By:

Juhász, László;
Varga, Gergely;
Sztankovics, Andrea;
Béke, Ferenc;
Docsa, Tibor;
Kiss‐Szikszai, Attila;
Gergely, Pál;
Kóňa, Juraj;
Tvaroška, Igor;
Somsák, László

Publication type:

Article

The binding properties of the H5N1 influenza virus neuraminidase as inferred from molecular modeling.

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 6, p. 1445, doi. 10.1007/s00894-010-0852-z

By:

Raab, Michal;
Tvaroška, Igor

Publication type:

Article

Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 11, p. 995, doi. 10.1007/s00894-008-0343-7

By:

Spiwok, Vojtěch;
Králová, Blanka;
Tvaroška, Igor

Publication type:

Article

Electrospray ionization ion-trap multistage mass spectrometric study of sodium cationized aldobiuronic and pseudoaldobiuronic acid derivatives.

Published in:

Journal of Mass Spectrometry, 2004, v. 39, n. 12, p. 1554, doi. 10.1002/jms.764

By:

Kováčik, Vladimír;
Bekešová, Slávka;
Tvaroška, Igor;
Hirsch, Ján;
Chmelík, Josef

Publication type:

Article