Tvaroska, I.: search on Z-Library

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1

Different QM/MM Approaches to Elucidate Enzymatic Reactions: Case study on the ppGalNAcT2 glycosyltransferase

Janoš, Pavel, Trnka, Tomáš, Kozmon, Stanislav, Tvaroska, Igor, Koča, Jaroslav

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 1.97 MB

english, 2016

2

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

Anthony J. Duben, Miloš Hricovini, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

1993

Language:

english

File:

PDF, 888 KB

english, 1993

3

Nuclear overhauser effects and the flexibility of saccharides: methyl β-xylobioside

Miloš Hricovíni, Igor Tvaroška, Ján Hirsch, Anthony J. Duben

Journal:

Carbohydrate Research

Year:

1991

Language:

english

File:

PDF, 480 KB

english, 1991

4

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

L. Sihelníková, I. Tvaroška

Journal:

Chemical Papers

Year:

2007

Language:

english

File:

PDF, 472 KB

english, 2007

5

[Advances in Carbohydrate Chemistry and Biochemistry] Advances in Carbohydrate Chemistry and Biochemistry Volume 47 Volume 47 || Anomeric and Exo-Anomeric Effects in Carbohydrate Chemistry

Tvaroŝka, Igor

Year:

1989

Language:

english

File:

PDF, 3.66 MB

english, 1989

6

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

Trnka, Tomáš, Tvaroska, Igor, Koca, Jaroslav

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.10 MB

english, 2017

7

[Advances in Carbohydrate Chemistry and Biochemistry] Volume 51 || Carbon-Proton Coupling Constants In The Conformational Analysis of Sugar Molecules

Year:

1995

Language:

english

File:

PDF, 1.94 MB

english, 1995

8

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

Vincent Mihálov, Vladimír Kováčik, Rudolf Toman, Igor Tvaroška

Journal:

Carbohydrate Research

Year:

1983

Language:

english

File:

PDF, 600 KB

english, 1983

9

Karplus-type equation for vicinal carbon-proton coupling constants for the CSCH pathway in 1-thioglycosides

Igor Tvaroska, Karim Mazeau, Michèle Blanc-Muesser, Stéphane Lavaitte, Hugues Driguez, François R. Taravel

Journal:

Carbohydrate Research

Year:

1992

Language:

english

File:

PDF, 423 KB

english, 1992

10

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

11

Development of transition state analogue inhibitors forN-acetylglycosyltransferases bearingdpsico- ordtagatofuranose scaffolds

Baráth, Marek, Lin, Chun-Hung, Tvaroška, Igor, Hirsch, Ján

Journal:

Chemical Papers

Year:

2015

Language:

english

File:

PDF, 366 KB

english, 2015

12

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

Sladek, Vladimir, Tvaroška, Igor

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 2.73 MB

english, 2017

13

Solvent effect on the stability of mannobiose conformers

I. Tvaroska, S. Perez, O. Noble, F. Taravel

Journal:

Year:

1987

Language:

english

File:

PDF, 478 KB

english, 1987

14

Conformational study of digalacturonic acid and sodium digalacturonate in solution

Catherine Gouvion, Karim Mazeau, Alain Heyraud, François R. Taravel, Igor Tvaroska

Journal:

Carbohydrate Research

Year:

1994

Language:

english

File:

PDF, 984 KB

english, 1994

15

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

Isabelle André, Igor Tvaroška, Jeremy P. Carver

Journal:

Carbohydrate Research

Year:

2003

Language:

english

File:

PDF, 12.18 MB

english, 2003

16

Foreword

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

Journal:

Carbohydrate Research

Year:

2004

Language:

english

File:

PDF, 214 KB

english, 2004

17

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

18

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

19

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

Trnka, Tomáš, Kozmon, Stanislav, Tvaroška, Igor, Koča, Jaroslav, Grubmüller, Helmut

Journal:

PLoS Computational Biology

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

20

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

Remko, Milan, Tvaroška, Igor

Journal:

Year:

1987

Language:

english

File:

PDF, 1.79 MB

english, 1987

21

ChemInform Abstract: ON THERMAL DEHYDROCHLORINATION OF MODEL COMPOUNDS FOR POLY(VINYL CHLORIDE) PART 2, EXTENDED HUECKEL AND ITERATIVE EXTENDES HUECKEL CALCULATIONS ON THE BETA-CIS-DEHYDROCHLORINATION OF ETHYL CHLORIDE

TVAROSKA, I., KLIMO, V., VALKO, L.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 102 KB

1974

22

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

Rudolf Toman, František Janeček, Igor Tvaroška, Miroslav Zikmund

Journal:

Carbohydrate Research

Year:

1983

Language:

english

File:

PDF, 543 KB

english, 1983

23

Saturated irregular structures in poly(vinyl chloride)

L. Valko, I. Tvaroška, P. Kovařik

Journal:

European Polymer Journal

Year:

1975

Language:

english

File:

PDF, 425 KB

english, 1975

24

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

25

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

26

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

27

Dependence on saccharide conformation of the one-bond and three-bond carbonproton coupling constants

Journal:

Carbohydrate Research

Year:

1990

Language:

english

File:

PDF, 676 KB

english, 1990

28

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

29

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

30

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

31

Lone pair interactions in dimethoxymethane and anomeric effect

Tvaroška, Igor, Bleha, Tomaš

Journal:

Canadian Journal of Chemistry

Year:

1979

Language:

english

File:

PDF, 764 KB

english, 1979

32

Crystalline conformation and structure of lichenan and barley β-glucan

Tvaroska, I., Ogawa, K., Deslandes, Y., Marchessault, R. H.

Journal:

Canadian Journal of Chemistry

Year:

1983

Language:

english

File:

PDF, 514 KB

english, 1983

33

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

Igor Tvaroška, Jan Gajdoš

Journal:

Carbohydrate Research

Year:

1995

Language:

english

File:

PDF, 624 KB

english, 1995

34

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

35

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

36

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

37

Effects of the Complexation by the Mg 2+ Cation on the Stereochemistry of the Sugar−Diphosphate Linkage. Ab Initio Modeling on Nucleotide−Sugars

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

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 101 KB

english, 2000

38

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

Catherine Gouvion, Karim Mazeau, Igor Tvaroska

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 805 KB

english, 1995

39

The conformational properties of the glycosidic linkage

Igor Tvaroška, Tibor Kožár

Journal:

Carbohydrate Research

Year:

1981

Language:

english

File:

PDF, 826 KB

english, 1981

40

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

41

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

TVAROSKA, I., BLEHA, T.

Journal:

Year:

1987

File:

PDF, 91 KB

1987

42

ChemInform Abstract: ON THERMAL DEHYDROCHLORINATION OF MODEL COMPOUNDS FOR POLY(VINYL CHLORIDE) PART 2, EXTENDED HUECKEL AND ITERATIVE EXTENDES HUECKEL CALCULATIONS ON THE BETA-CIS-DEHYDROCHLORINATION OF ETHYL CHLORIDE

TVAROSKA, I., KLIMO, V., VALKO, L.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 102 KB

1974

43

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

Vladimír Kováčik, Eva Petráková, Vincent Mihálov, Igor Tvaroška, Wigger Heerma

Journal:

Biological Mass Spectrometry = Journal of Mass Spectrometry (Wiley)

Year:

1985

Language:

english

File:

PDF, 746 KB

english, 1985

44

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

45

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

46

ChemInform Abstract: 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, I., KOZAR, T.

Journal:

Chemischer Informationsdienst

Year:

1981

File:

PDF, 108 KB

1981

47

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

Tibor Kožár, Igor Tvaroška

Journal:

Year:

1990

Language:

english

File:

PDF, 586 KB

english, 1990

48

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

49

ChemInform Abstract: THEORETICAL STUDIES ON THE CONFORMATION OF SACCHARIDES. I. CONFORMATIONAL FLEXIBILITY OF THE PYRANOSE RING

KOZAR, T., TVAROSKA, I.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 100 KB

1980

50

Enantioselective Epoxidation of Electrophilic Olefins by Using Glycosyl Hydroperoxides

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

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 658 KB

english, 2008

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