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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
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- 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
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- 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:
- 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
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- 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
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- Publication type:
- Article
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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- 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
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- Publication type:
- Article