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51

On thermal dehydrochlorination of model compounds for poly(vinyl chloride)—II : Extended Hückel and iterative extended Hückel calculations on the β-cis-dehydrochlorination of ethyl chloride

I. Tvaroška, V. Klimo, L. Valko

Journal:

Year:

1974

Language:

english

File:

PDF, 500 KB

english, 1974

52

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

I. Tvaroška, T. Bleha

Journal:

Tetrahedron Letters

Year:

1975

Language:

english

File:

PDF, 243 KB

english, 1975

53

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

Bernard Boutherin, Karim Mazeau, Igor Tvaroska

Journal:

Carbohydrate Polymers

Year:

1997

Language:

english

File:

PDF, 1.28 MB

english, 1997

54

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

Mohan Rao, Igor Tvaroska

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2001

Language:

english

File:

PDF, 411 KB

english, 2001

55

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

Igor Tvaroška, Tibor Kožár

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 648 KB

english, 1983

56

Conformational analysis of oligosaccharides in solution

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 602 KB

english, 1989

57

Theoretical studies on the conformation of saccharides

Igor Tvaroška, Tibor Kožár

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1986

Language:

english

File:

PDF, 923 KB

english, 1986

58

Theoretical studies on the conformation of saccharides

Tibor Kožár, Igor Tvaroška

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1979

Language:

english

File:

PDF, 627 KB

english, 1979

59

Über die thermische Dehydrochlorierung von Modellverbindungen des PVC. 4. MItt. MO-Untersuchung des katalytischen Effektes von HCl

I. Tvaroska, T. Bleha, L. Valko

Journal:

Colloid & Polymer Science

Year:

1977

Language:

german

File:

PDF, 129 KB

german, 1977

60

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

Igor Tvaroska, François R. Taravel

Journal:

Journal of Biomolecular NMR

Year:

1992

Language:

english

File:

PDF, 509 KB

english, 1992

61

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

Vojtěch Spiwok, Blanka Králová, Igor Tvaroška

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 563 KB

english, 2008

62

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

Michal Raab, Igor Tvaroška

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 834 KB

english, 2011

63

Acid-catalyzed hydrolysis of 2-methoxypropenal

Michal Fedoroňko, Mária Petrušová, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

1983

Language:

english

File:

PDF, 561 KB

english, 1983

64

Stereochemistry of nonreducing disaccharides in solution

Igor Tvaroška, Ľubomir Václavík

Journal:

Carbohydrate Research

Year:

1987

Language:

english

File:

PDF, 862 KB

english, 1987

65

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

Miloš Hricovíni, Igor Tvaroška, Ján Hirsch

Journal:

Carbohydrate Research

Year:

1990

Language:

english

File:

PDF, 794 KB

english, 1990

66

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

Igor Tvaroska, François R. Taravel

Journal:

Carbohydrate Research

Year:

1991

Language:

english

File:

PDF, 806 KB

english, 1991

67

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

Karim Mazeau, Igor Tvaroska

Journal:

Carbohydrate Research

Year:

1992

Language:

english

File:

PDF, 1.09 MB

english, 1992

68

On thermal dehydrochlorination of model compounds for polyvinylchloride—I

L. Valko, I. Tvaroška

Journal:

European Polymer Journal

Year:

1971

Language:

english

File:

PDF, 871 KB

english, 1971

69

Foreword

Anne Imberty, Søren B Engelsen, Igor Tvaroska, Jacques Defaye

Journal:

Carbohydrate Research

Year:

2004

Language:

english

File:

PDF, 214 KB

english, 2004

70

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

Michal Raab, Stanislav Kozmon, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

2005

Language:

english

File:

PDF, 278 KB

english, 2005

71

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

Wioletta Kośnik, Wojciech Bocian, Marek Chmielewski, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

2008

Language:

english

File:

PDF, 199 KB

english, 2008

72

Modelling of β-d-glucopyranose ring distortion in different force fields: a metadynamics study

Vojtěch Spiwok, Blanka Králová, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

2010

Language:

english

File:

PDF, 759 KB

english, 2010

73

α-d-Mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II

Monika Poláková, Sergej Šesták, Erika Lattová, Ladislav Petruš, Ján Mucha, Igor Tvaroška, Juraj Kóňa

Journal:

European Journal of Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 876 KB

english, 2011

74

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

Igor Tvaroška, François R. Taravel, Jean Pierre Utille, Jeremy P. Carver

Journal:

Carbohydrate Research

Year:

2002

Language:

english

File:

PDF, 198 KB

english, 2002

75

Synthesis of saccharide precursors for preparation of potential inhibitors of glycosyltranferases

Ján Hirsch, Miroslav Koóš, Igor Tvaroška

Journal:

Chemical Papers

Year:

2009

Language:

english

File:

PDF, 265 KB

english, 2009

76

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

Juraj Kóňa, Igor Tvaroška

Journal:

Chemical Papers

Year:

2009

Language:

english

File:

PDF, 504 KB

english, 2009

77

Studies on the conformational behaviour of GlcNAc-Man3-GlcNAc2 oligosaccharides using molecular dynamics simulations

Tibor Kozar, Igor Tvaroska, Jeremy P Carver

Journal:

Glycoconjugate Journal

Year:

1998

Language:

english

File:

PDF, 187 KB

english, 1998

78

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

Spiwok, Vojtěch, Hlat-Glembová, Katarína, Tvaroška, Igor, Králová, Blanka

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 5.41 MB

english, 2012

79

ChemInform Abstract: Carbon-Proton Coupling Constants in the Conformational Analysis of Sugar Molecules

I. TVAROSKA, F. R. TARAVEL

Journal:

Year:

1996

File:

PDF, 24 KB

1996

80

ChemInform Abstract: Conformational Analysis of Carbohydrates Inferred from NMR Spectroscopy and Molecular Modeling. Applications to the Behavior of Oligogalactomannan Chains

F. R. TARAVEL, K. MAZEAU, I TVAROSKA

Journal:

Year:

1996

File:

PDF, 25 KB

1996

81

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

Igor Tvaroška, Jeremy P. Carver

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 919 KB

english, 1997

82

Ab initio studies of conformational properties of dimethyl diphosphate dianion and its complex with magnesium

Igor Tvaroska, Isabelle André, Jeremy P. Carver

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 225 KB

english, 1999

83

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

Igor Tvaroška, Tibor Kožár

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 858 KB

english, 1985

84

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

Igor Tvaroška, Tibor Kožár

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 864 KB

english, 1985

85

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

Ahyayauch, Hasna, Raab, Michal, Busto, Jon V., Andraka, Nagore, Arrondo, José-Luis R., Masserini, Massimo, Tvaroska, Igor, Goñi, Félix M.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 1.21 MB

english, 2012

86

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

Kozmon, Stanislav, Tvaroška, Igor

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2006

Language:

english

File:

PDF, 306 KB

english, 2006

87

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

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

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 1.55 MB

english, 2013

88

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, Igor, André, Isabelle, Carver, Jeremy P.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 429 KB

english, 2000

89

Toward an Accurate Conformational Modeling of Iduronic Acid

Oborský, Pavel, Tvaroška, Igor, Králová, Blanka, Spiwok, Vojtěch

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.87 MB

english, 2013

90

Ab Initio Molecular Orbital Study of the Conformational Behavior of the Sugar−Phosphate Linkage. Toward an Understanding of the Catalytic Mechanism of Glycosyltransferases

Tvaroska, Igor, André, Isabelle, Carver, Jeremy P.

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

91

Catalytic Mechanism of Glycosyltransferases: Hybrid Quantum Mechanical/Molecular Mechanical Study of the Inverting N -Acetylglucosaminyltransferase I

Kozmon, Stanislav, Tvaroška, Igor

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 399 KB

english, 2006

92

Substrate-Assisted Catalytic Mechanism of O -GlcNAc Transferase Discovered by Quantum Mechanics/Molecular Mechanics Investigation

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

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 3.52 MB

english, 2012

93

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

Tvaroska, Igor, Kozar, Tibor

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 1.05 MB

english, 1980

94

Binding of β-Amyloid (1-42) Peptide to Negatively Charged Phospholipid Membranes in the Liquid-Ordered State

Ahyayauch, Hasna, Raab, Michal, Busto, Jon V., Andraka, Nagore, Arrondo, Jose Luis R., Masserini, Massimo, Tvaroska, Igor, Goni, Felix M.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 39 KB

english, 2013

95

CONTENTS

Ahyayauch, Hasna, Raab, Michal, Busto, Jon V., Andraka, Nagore, Arrondo, Jose Luis R., Masserini, Massimo, Tvaroska, Igor, Goni, Felix M.

Journal:

Thoracic Surgery Clinics

Year:

2004

Language:

english

File:

PDF, 32 KB

english, 2004

96

Theoretical aspects of structure and conformation of oligosaccharides

Tvaroška, Igor

Journal:

Current Opinion in Structural Biology

Year:

1992

Language:

english

File:

PDF, 562 KB

english, 1992

97

Interaction of Monomeric Amyloid Beta-Protein (ABETA-42)with Bilayers Containing Anionic Phospholipids

Ahyayauch, Hasna, Raab, Michal, Alonso, Alicia, Tvaroska, Igor, Masserini, Massimo, Goni, Felix M.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 40 KB

english, 2011

98

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

Tvaroška, Igor, Carver, Jeremy P.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 297 KB

english, 1997

99

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

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

Journal:

Year:

2014

Language:

english

File:

PDF, 858 KB

english, 2014

100

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

Tvaroška, Igor

Journal:

Carbohydrate Research

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015