I. Tvaroška

发表

PCILO quantum-mechanical relaxed conformational energy map of methyl 4-thio-alpha-maltoside in solution.

K. Mazeau, I. Tvaroška, 1992, Carbohydrate research.

RAMM-a new procedure for theoretical conformational analysis of carbohydrates

I. Tvaroška, T. Kožár, F. Petrák, 1990 .

Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.

I. Tvaroška, Adela Bobovská, J. Kóňa, 2016, Journal of molecular graphics & modelling.

Carbohydrate-protein interactions: molecular modeling insights.

Serge Pérez, S. Pérez, I. Tvaroška, 2014, Advances in carbohydrate chemistry and biochemistry.

Carbon-proton coupling constants in the conformational analysis of sugar molecules.

I. Tvaroška, F. Taravel, 1995, Advances in carbohydrate chemistry and biochemistry.

Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate Translocation

C. Dellago, J. Koča, P. Janoš, 2020, ACS omega.

The role of chemical structure on the stereochemistry of the α-(1–4) diaxial glycosidic linkage

K. Mazeau, I. Tvaroška, C. Gouvion, 1995 .

Conformational study of digalacturonic acid and sodium digalacturonate in solution.

K. Mazeau, I. Tvaroška, A. Heyraud, 1994, Carbohydrate research.

Theoretical aspects of structure and conformation of oligosaccharides

I. Tvaroška, 1992 .

Solution behavior of methyl beta-xylobioside: conformational flexibility revealed by n.m.r. measurements and theoretical calculations.

I. Tvaroška, M. Hricovíni, J. Hirsch, 1990, Carbohydrate research.

Nuclear Overhauser effects and the flexibility of saccharides: methyl beta-xylobioside.

I. Tvaroška, A. Duben, M. Hricovíni, 1991, Carbohydrate research.

Comparative DFT study on the α-glycosidic bond in reactive species of galactosyl diphosphates

I. Tvaroška, J. Kóňa, 2009 .

Conformational analysis of ester and ether linkages in lignin-arabinoxylan complexes

M. Remko, I. Tvaroška, F. Bízik, 1994 .

Molecular orbitals studies of the conformations of dimethoxymethane

I. Tvaroška, T. Bleha, 1975 .

Atomistic insight into the catalytic mechanism of glycosyltransferases by combined quantum mechanics/molecular mechanics (QM/MM) methods.

I. Tvaroška, 2015, Carbohydrate research.

A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: the impact of different metal ions on catalysis.

I. Tvaroška, Adela Bobovská, J. Kóňa, 2014, Organic & biomolecular chemistry.

Molecular Basis for the Biosynthesis of Oligo- and Polysaccharides

A. Imberty, I. Wilson, C. Breton, 2008 .

Resolution of Racemic N‐Benzyl α‐Amino Acids by Liquid‐Liquid Extraction: A Practical Method Using a Lipophilic Chiral Cobalt(III) Salen Complex and Mechanistic Studies

Toby B. Reeve, I. Tvaroška, C. Gennari, 2008 .

An attempt to derive a new Karplus-type equation of vicinal proton-carbon coupling constants for COCH segments of bonded atoms

I. Tvaroška, E. Petráková, M. Hricovíni, 1989 .

DFT calculations of the anomeric and exo-anomeric effect of the hydroperoxy and peroxy groups.

M. Chmielewski, I. Tvaroška, W. Bocian, 2008, Carbohydrate research.

Three-dimensional homology model of GlcNAc-TV glycosyltransferase.

J. Koča, P. Janoš, I. Tvaroška, 2016, Glycobiology.

Binding of β-D-glucosides and β-D-mannosides by rice and barley β-D-glycosidases with distinct substrate specificities.

J. Jiménez-Barbero, S. Fort, M. Hrmova, 2010, Biochemistry.

Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu2+ ions

I. Tvaroška, S. Kozmon, 2015, Chemical Papers.

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

J. Varghese, Jean‐Didier Maréchal, J. M. Lluch, 2019, Nature Communications.

Positive electrospray ion trap multistage mass spectrometric fragmentation of synthetic analogs of saccharide part of lipopolysaccharides of Vibrio cholerae O:1

P. Kováč, S. Bekešová, I. Tvaroška, 2006, Journal of the American Society for Mass Spectrometry.

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

S. Bekešová, I. Tvaroška, J. Chmelík, 2004, Journal of mass spectrometry : JMS.

The anomeric and exo-anomeric effects of a hydroxyl group and the stereochemistry of the hemiacetal linkage

I. Tvaroška, J. Carver, 1998 .

Hybrid quantum mechanical/molecular mechanical investigation of the beta-1,4-galactosyltransferase-I mechanism.

I. Tvaroška, M. Krupička, 2009, The journal of physical chemistry. B.

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

I. Tvaroška, M. Raab, 2011, Journal of molecular modeling.

Conformational analysis of (1 → 6)-α-D-glucan

S. Pérez, R. Marchessault, I. Tvaroška, 1978 .

Catalytic mechanism of glycosyltransferases: hybrid quantum mechanical/molecular mechanical study of the inverting N-acetylglucosaminyltransferase I.

I. Tvaroška, S. Kozmon, 2006, Journal of the American Chemical Society.

Molecular modeling insights into the catalytic mechanism of the retaining galactosyltransferase LgtC.

I. Tvaroška, 2004, Carbohydrate research.

Theoretical studies on the conformation of saccharides. 3. Conformational properties of the glycosidic linkage in solution and their relation to the anomeric and exoanomeric effects

I. Tvaroška, T. Kožár, 1980 .

XXI International Symposium on Glycoconjugates

I. Wilson, L. Brecker, I. Tvaroška, 2011, Glycoconjugate Journal.

Molecular Orbital Investigations on Lignin Model Compounds. XXI. Solvent Effect on the Stability of β-Aryl Ether and Benzyl Aryl Ether Dimeric Units of Lignin

M. Remko, I. Tvaroška, 2009 .

Ab initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE.

V. Sládek, I. Tvaroška, F. Holka, 2015, Physical chemistry chemical physics : PCCP.

On the reaction pathways and determination of transition-state structures for retaining alpha-galactosyltransferases.

I. André, I. Tvaroška, J. Carver, 2003, Carbohydrate research.

Anomeric and Exo-Anomeric Effects in Carbohydrate Chemistry

I. Tvaroška, T. Bleha, 1991 .

Enantioselective epoxidation of electrophilic olefins by using glycosyl hydroperoxides.

M. Chmielewski, I. Tvaroška, W. Bocian, 2008, Chemistry.

Conformational analysis of oligosaccharides in solution

I. Tvaroška, 1989 .

On Thermal Dehydrochlorination of Model Compounds for PVC IV. MO Study of the Catalytic Effect of Hydrogen Chloride

I. Tvaroška, T. Bleha, L. Valko, 1975 .

On thermal dehydrochlorination of model compounds for poly(vinyl chloride)—II

I. Tvaroška, V. Klimo, L. Valko, 1974 .

Conformational dependence of the one‐bond carbon–proton coupling constants in oligosaccharides

I. Tvaroška, M. Hricovíni, 1990 .

Ab initio molecular orbital calculation of carbohydrate model compounds. 2. Conformational analysis of axial and equatorial 2-methoxytetrahydropyrans

I. Tvaroška, J. Carver, 1994 .

Stereochemistry of nonreducing disaccharides in solution

I. Tvaroška, Ľubomir Václavík, 1987 .

The conformational properties of the glycosidic linkage

I. Tvaroška, T. Kožár, 1981 .

Hydration of α-maltose and amylose: molecular modelling and thermodynamics study

J. Desbrières, M. Rinaudo, K. Mazeau, 1995 .

One-bond carbon-proton coupling constants: Angular dependence in β-linked oligosaccharides

I. Tvaroška, F. Taravel, 1992 .

Oligosaccharides in Solution: Conformational Analysis by NMR Spectroscopy and Calculation

I. Tvaroška, T. Kožár, M. Hricovíni, 1990 .

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

I. Tvaroška, 1982 .

Ab initio molecular orbital calculation of carbohydrate model compounds 4. Flexibility of Ψ-type glycosidic bonds in carbohydrates

I. Tvaroška, J. Carver, 1997 .

Lone pair interactions in dimethoxymethane and anomeric effect

I. Tvaroška, T. Bleha, 1979 .

Elimination of Isocyanate and Isothiocyanate Molecules at the Electrospray Ionization Ion Trap, Electrospray Ionization Quadrupole Time-of-Flight and Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Tandem Mass Spectrometry Fragmentation of Sodium Cationized Brassitin, Brassinin and Their

S. Bekešová, I. Tvaroška, P. Rehulka, 2007, European journal of mass spectrometry.

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

I. Tvaroška, T. Kožár, 1990, Biopolymers.

DFT Study on 3-Substituted Tetrahydropyran-2-yl Radicals

I. Tvaroška, S. Kozmon, 2006 .

One-bond carbon-proton coupling constants: angular dependence in α-linked oligosaccharides☆

I. Tvaroška, F. Taravel, 1991 .

Kinetics and mechanism of the acid-catalyzed reactions of methylated trioses

M. Fedoron̆ko, I. Tvaroška, V. Mihálov, 1980 .

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

J. Koča, C. Selvaraj, I. Tvaroška, 2020, Molecules.

Synthesis and conformational analysis of novel N(OCH3)-linked disaccharide analogues.

F. Nicotra, F. Peri, I. Tvaroška, 2004, Chemistry.

Structure of bovine α‐1,3‐galactosyltransferase and its complexes with UDP and DPGal inferred from molecular modeling

I. Tvaroška, M. Rao, 2001, Proteins.

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

I. Tvaroška, 1984 .

Molecular simulations of hevein/(GlcNAc)3 complex with weakened OH/O and CH/π hydrogen bonds: implications for their role in complex stabilization.

V. Spiwok, B. Králová, I. Tvaroška, 2015, Carbohydrate research.

On thermal dehydrochlorination of model compounds for polyvinylchloride—I

I. Tvaroška, L. Valko, 1971 .

Computer Modeling of Polysaccharide—Polysaccharide Interactions

I. Tvaroška, F. Taravel, 2006 .

DFT and Docking Study of Potential Transition State Analogue Inhibitors of Glycosyltransferases

I. Tvaroška, S. Kozmon, L. Sihelnı́ková, 2008 .

Study of the kinetics and mechanism of the acid-base-catalyzed enolization of hydroxyacetaldehyde and methoxyacetaldehyde

M. Fedoron̆ko, I. Tvaroška, V. Kováčik, 1980 .

Molecular and Crystal Structures of Inulin from Electron Diffraction Data

J. Putaux, I. André, W. Winter, 1996 .

Hydration of alpha-maltose and amylose: molecular modelling and thermodynamics study.

J. Desbrières, M. Rinaudo, K. Mazeau, 1995, Carbohydrate research.

α-D-mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II.

L. Petruš, I. Tvaroška, J. Kóňa, 2011, European journal of medicinal chemistry.

Quantum mechanical and NMR spectroscopy studies on the conformations of the hydroxymethyl and methoxymethyl groups in aldohexosides.

Igor Tvaroska, I. Tvaroška, J. Utille, 2002, Carbohydrate research.

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.

I. Tvaroška, Adela Bobovská, J. Kóňa, 2015, Glycobiology.

QM/MM methods for studying enzymatic reactions of glycosyltransferases.

I. Tvaroška, 2015, Methods in molecular biology.

Substrate-assisted catalytic mechanism of O-GlcNAc transferase discovered by quantum mechanics/molecular mechanics investigation.

J. Koča, M. Wimmerová, I. Tvaroška, 2012, Journal of the American Chemical Society.

QM/MM Insight on Enzymatic Reactions of Glycosyltransferases

I. Tvaroška, 2011 .

First-Principles Interaction Analysis Assessment of the Manganese Cation in the Catalytic Activity of Glycosyltransferases.

V. Sládek, I. Tvaroška, 2017, The journal of physical chemistry. B.

Catalytic mechanism of the inverting N-acetylglucosaminyltransferase I: DFT quantum mechanical model of the reaction pathway and determination of the transition state structure.

I. André, I. Tvaroška, J. Carver, 2003, Glycobiology.

Conception de modulateurs pour glycosyltransferases

I. André, I. Tvaroška, T. Kožár, 2001 .

Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational behavior.

I. Tvaroška, S. Kozmon, M. Raab, 2005, Carbohydrate research.

Glycosyltransferases as targets for therapeutic intervention in cancer and inflammation: molecular modeling insights

I. Tvaroška, 2022, Chemical Papers.

A QM/MM investigation of the catalytic mechanism of metal-ion-independent core 2 β1,6-N-acetylglucosaminyltransferase.

J. Koča, M. Wimmerová, I. Tvaroška, 2013, Chemistry.

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

I. Tvaroška, J. Carver, and Isabelle André, 2000 .

Karplus-type equation for vicinal carbon-proton coupling constants for the CSCH pathway in 1-thioglycosides

H. Driguez, K. Mazeau, I. Tvaroška, 1992 .

Mass spectrometry of the positionally isomeric, monobenzyl ethers of methyl glycopyranosides

I. Tvaroška, R. Toman, V. Kováčik, 1983 .

Regioselective enhancement of the nucleophilicity of the hydroxyl groups in methyl α-l-rhamnopyranoside by complexation with tin(II) chloride

I. Tvaroška, R. Toman, M. Zikmund, 1983 .

Angular dependence of vicinal carbon-proton coupling constants for conformational studies of the hydroxymethyl group in carbohydrates

I. Tvaroška, J. Gajdos, 1995 .

Non-planar conformations of methylacetamide: Solvent effect and chiroptical properties

S. Bystrický, I. Tvaroška, P. Maloň, 1982 .

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*

Ten-Yang Yen, Steve Bryson, Alessandro Datti, 2003, Journal of Biological Chemistry.

The conformational analysis of methyl beta-xylobioside: effect of choice of potential functions.

I. Tvaroška, A. Duben, M. Hricovíni, 1993, Carbohydrate research.

The different nature of the anomeric effect for methoxy and chlorine substituents

I. Tvaroška, T. Bleha, 1975 .

Conformational-energy calculations for oligosaccharides: a comparison of methods and a strategy of calculation☆

Serge Pérez, Igor Tvaroska, S. Pérez, 1986 .

Development of transition state analogue inhibitors for N-acetylglycosyltransferases bearing dpsico- or dtagatofuranose scaffolds

Chun-Hung Lin, I. Tvaroška, M. Baráth, 2014, Chemical Papers.

Computer modeling of polysaccharide–polysaccharide interactions: An approach to the κ‐carrageenan–mannan case

C. Rochas, I. Tvaroška, F. Taravel, 1992, Biopolymers.

Theoretical studies on the conformation of saccharides

I. Tvaroška, T. Kožár, 1979 .

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

L. Somsák, I. Tvaroška, J. Kóňa, 2014 .

N-(4-Substituted-benzoyl)-N'-(β-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods.

S. Zographos, N. Oikonomakos, D. Leonidas, 2012, Bioorganic & Medicinal Chemistry.

Acid-catalyzed hydrolysis of 2-methoxypropenal

M. Fedoron̆ko, I. Tvaroška, M. Petrušová, 1983 .

Step by step towards understanding gold glyconanoparticles as elements of the nanoworld

I. Tvaroška, L. Sihelnı́ková, 2007 .

Effect of the electric field on molecular structure in the MNDO approximation

I. Tvaroška, D. Tunega, L. T. Nagy, 1986 .

Change of the molecular surface and volume during internal rotation and its effect on conformational equilibrium in solution

I. Tvaroška, T. Bleha, J. Gajdos, 1980 .

Different QM/MM Approaches To Elucidate Enzymatic Reactions: Case Study on ppGalNAcT2.

J. Koča, T. Trnka, P. Janoš, 2016, Journal of chemical theory and computation.

Binding of β-amyloid (1-42) peptide to negatively charged phospholipid membranes in the liquid-ordered state: modeling and experimental studies.

M. Masserini, F. Goñi, J. Arrondo, 2012, Biophysical journal.

Binding of b-Amyloid ( 1 – 42 ) Peptide to Negatively Charged Phospholipid Membranes in the Liquid-Ordered State : Modeling and Experimental Studies

M. Masserini, F. Goñi, J. Arrondo, 2012 .

Solvent effect on the stability of mannobiose conformers

I. Tvaroška, F. Taravel, S. Perez, 1987 .

Computer modelling of kappa carrageenam‐mannan interactions

C. Rochas, I. Tvaroška, F. Taravel, 1994, Journal of molecular recognition : JMR.

Theoretical studies on the conformation of saccharides: Part VI. Influence of the pyranoid ring shape on the conformational properties of the glycosidic linkage and on the magnitude of the exoanomeric effect

I. Tvaroška, T. Kožár, 1985 .

PEGylated nanoparticles bind to and alter amyloid-beta peptide conformation: toward engineering of functional nanomedicines for Alzheimer's disease.

W. Scheper, M. Gobbi, P. Couvreur, 2012, ACS nano.

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

I. Tvaroška, J. Kóňa, S. Kozmon, 2023, Cells.

Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions.

Jaroslav Koča, J. Koča, T. Trnka, 2018, Journal of chemical theory and computation.

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

Jaroslav Koca, Tomás Trnka, Stanislav Kozmon, 2014, PLoS Comput. Biol..

Toward an accurate conformational modeling of iduronic acid.

V. Spiwok, B. Králová, I. Tvaroška, 2013, The journal of physical chemistry. B.

Conformational Free Energy Modeling of Druglike Molecules by Metadynamics in the WHIM Space

Vojtech Spiwok, Igor Tvaroska, Blanka Králová, 2012, J. Chem. Inf. Model..

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

J. Varghese, Jean‐Didier Maréchal, J. M. Lluch, 2019, Nature Communications.

Conformational statistics of pectin substances in solution by a Metropolis Monte Carlo study

K. Mazeau, I. Tvaroška, B. Boutherin, 1997 .

Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 5. Anomeric, Exo-Anomeric, and Reverse Anomeric Effects in C-, N-, and S-Glycosyl Compounds

I. Tvaroška, J. Carver, 1996 .

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

Vojtěch Spiwok, Blanka Králová, V. Spiwok, 2008, Journal of molecular modeling.

Irregular Structures in Poly (vinyl chloride). I. Saturated Structures

V. Kellö, I. Tvaroška, L. Valko, 2013 .

Crystalline conformation and structure of lichenan and barley β-glucan

R. Marchessault, I. Tvaroška, Y. Deslandes, 1983 .

Saturated irregular structures in poly(vinyl chloride)

I. Tvaroška, P. Kovarik, L. Valko, 1975 .

Irregular structures in polyvinylchloride II. Unsaturated structures

I. Tvaroška, L. Valko, 1972 .

Solvent effect on the stability of isomaltose conformers

A. Imberty, S. Pérez, I. Tvaroška, 1990 .

An attempt to derive the potential function for evaluation of the energy associated with the exo-anomeric effect

I. Tvaroška, Igor Tvaroška, 1984 .

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

V. Spiwok, I. Tvaroška, Dalibor Trapl, 2019, Scientific Reports.

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

Jaroslav Koča, Stanislav Kozmon, J. Koča, 2018, Chemistry.

Modelling of beta-D-glucopyranose ring distortion in different force fields: a metadynamics study.

Vojtech Spiwok, Igor Tvaroska, Blanka Králová, 2010, Carbohydrate research.

Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosides.

V. Spiwok, I. Tvaroška, 2009, Carbohydrate research.

Conformational free energy surface of alpha-N-acetylneuraminic acid: an interplay between hydrogen bonding and solvation.

Vojtech Spiwok, Igor Tvaroska, V. Spiwok, 2009, The journal of physical chemistry. B.

Molecular modeling of retaining glycosyltransferases

I. Tvaroška, 2006 .

Structural Insights into the Catalytic Mechanism and Transition State of Glycosyltransferases Using ab initio Molecular Modeling

I. Tvaroška, 酒井啓一郎, 2005 .

Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 6. The Gauche Effect and Conformations of the Hydroxymethyl and Methoxymethyl Groups

I. Tvaroška, Jeremy P. Carver, Igor Tvaroška, 1997 .

Ab Initio Molecular Orbital Calculation on Carbohydrate Model Compounds. 1. The Anomeric Effect in Fluoro and Chloro Derivatives of Tetrahydropyran

I. Tvaroška, J. Carver, 1994 .

Theoretical Stereochemistry of Molecules with Heteroatoms Linked to the Tetrahedral Center and the Anomeric Effect

I. Tvaroška, I. Tvaroska, T. Bleha, 1987 .

Calculation of solvent effect on conformation stability and anomeric effect in dimethoxymethane

I. Tvaroška, T. Bleha, 1980 .

Determination of Long Range Proton Carbon Coupling Constants by Modified Semi-Selective Two-Dimensional Inept: An Application in Stereochemical Analysis of Saccharides

G. Batta, I. Tvaroška, M. Hricovíni, 1989 .

The catalytic reaction mechanism of tyrosylprotein sulfotransferase-1.

J. Koča, I. Tvaroška, P. Šmak, 2021, Physical chemistry chemical physics : PCCP.

Electrostatic effects on conformational equilibria: solvation enthalpies and the reaction field theory

S. Böhm, Z. Friedl, I. Tvaroška, 1984 .

NMR AND MOLECULAR MODELLING OF SOPHOROSE AND SOPHOROTRIOSE IN SOLUTION

I. André, K. Mazeau, I. Tvaroška, 1995 .

Conformation and dynamics of a cyclic (1 → 2)-β-d-glucan

I. André, K. Mazeau, I. Tvaroška, 1995 .

Exploring reaction pathways for O-GlcNAc transferase catalysis. A string method study.

Jaroslav Koča, Petr Kulhánek, Stanislav Kozmon, 2015, The journal of physical chemistry. B.

How E-, L-, and P-Selectins Bind to sLex and PSGL-1: A Quantification of Critical Residue Interactions

I. Tvaroška, P. Šmak, V. Sladek, 2023, J. Chem. Inf. Model..

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

J. Koča, I. Tvaroška, P. Šmak, 2021, Glycobiology.

Electron impact, chemical ionization and collisional activation mass spectrometry of methyl O‐acetyl‐β‐D‐xylopyranosides

I. Tvaroška, E. Petráková, W. Heerma, 1985 .

Dependence on saccharide conformation of the one-bond and three-bond carbonproton coupling constants

I. Tvaroška, 1990 .

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

I. Tvaroška, T. Bleha, 1979 .

Partial methanolysis and hydrazinolysis of some derivatives of l,6-anhydro-/ř-D-glucopyranose

I. Tvaroška, M. Matulová, J. Zemek, 2012 .