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Computational modeling of protein-carbohydrate interactions: Current trends and future challenges

Advances in carbohydrate chemistry and biochemistry, 2023, Vol.83, p.133-149

Pérez, Serge

2023

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Computational tools for drawing, building and displaying carbohydrates: a visual guide

Beilstein journal of organic chemistry, 2020-10, Vol.16 (1), p.2448-2468

2020

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Molecular Basis of Ca2+-Induced Gelation in Alginates and Pectins: The Egg-Box Model Revisited

Biomacromolecules, 2001-09, Vol.2 (4), p.1089-1096

2001

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The exopolysaccharide properties and structures database: EPS-DB. Application to bacterial exopolysaccharides

Carbohydrate polymers, 2019-02, Vol.205, p.565-570

2019

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Structural view of glycosaminoglycan–protein interactions

Carbohydrate research, 2007-02, Vol.342 (3), p.430-439

2007

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Carbohydrate-Protein Interactions: Molecular Modeling Insights

Advances in Carbohydrate Chemistry and Biochemistry, 2014, Vol.71, p.9-136

Horton, Derek

2014

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Glycoscience@Synchrotron: Synchrotron radiation applied to structural glycoscience

Beilstein journal of organic chemistry, 2017-06, Vol.13 (1), p.1145-1167

2017

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Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus

Carbohydrate polymers, 2022-01, Vol.276, p.118732-118732, Article 118732

2022

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Conformational Preferences of the O‑Antigen Polysaccharides of Escherichia coli O5ac and O5ab Using NMR Spectroscopy and Molecular Modeling

Biomacromolecules, 2013-07, Vol.14 (7), p.2215-2224

2013

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Structure and Engineering of Celluloses

Advances in Carbohydrate Chemistry and Biochemistry, 2010, Vol.64, p.25-116

2010

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Innovation potentials triggered by glycoscience research

Carbohydrate polymers, 2020-04, Vol.233 (Online Early), p.115833-115833, Article 115833

2020

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Glycosaminoglycan-mimetic infernan grafted with poly(N-isopropylacrylamide): Toward a thermosensitive polysaccharide

Carbohydrate polymers, 2024-02, Vol.326, p.121638-121638, Article 121638

2024

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Experimental and theoretical investigation on interactions between xylose-containing hemicelluloses and procyanidins

Carbohydrate polymers, 2022-04, Vol.281, p.119086-119086, Article 119086

2022

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Interactions between infernan and calcium: From the molecular level to the mechanical properties of microgels

Carbohydrate polymers, 2022-09, Vol.292, p.119629-119629, Article 119629

2022

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Synthesis and X-ray crystallographic investigation of N-(β-d-glycosyl)butanamides derived from GlcNAc and chitobiose as analogs of the conserved chitobiosylasparagine linkage of N-glycoproteins

Carbohydrate research, 2013-10, Vol.380, p.37-44

2013

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Negatively Charged Glyconanoparticles Modulate and Stabilize the Secondary Structures of a gp120 V3 Loop Peptide: Toward Fully Synthetic HIV Vaccine Candidates

Bioconjugate chemistry, 2015-04, Vol.26 (4), p.755-765

2015

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A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with α,β-unsaturated lactones and with cyclic vinyl ethers: Part 1

Tetrahedron: asymmetry, 2008-07, Vol.19 (14), p.1660-1669

2008

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The molecular structure of waxy maize starch nanocrystals

Carbohydrate research, 2009-08, Vol.344 (12), p.1558-1566

2009

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Chain−Chain Interactions for Methyl Polygalacturonate: Models for High Methyl-Esterified Pectin Junction Zones

Biomacromolecules, 2005-05, Vol.6 (3), p.1322-1328

2005

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Examination of the effect of structural variation on the N-glycosidic torsion ( Φ N) among N-(β- d-glycopyranosyl)acetamido and propionamido derivatives of monosaccharides based on crystallography and quantum chemical calculations

Carbohydrate research, 2009-02, Vol.344 (3), p.355-361

2009

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A DFT study of 1,3-dipolar cycloadditions of cyclic nitrones to unsaturated lactones. Part II

Tetrahedron: asymmetry, 2008-09, Vol.19 (18), p.2140-2148

2008

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A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates

Carbohydrate research, 1998-12, Vol.314 (3), p.141-155

1998

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The three-dimensional structure of the mega-oligosaccharide rhamnogalacturonan II monomer: a combined molecular modeling and NMR investigation

Carbohydrate research, 2003-03, Vol.338 (7), p.651-671

2003

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The preferred conformations of the four oligomeric fragments of Rhamnogalacturonan II

Carbohydrate research, 1998-10, Vol.311 (4), p.203-217

1998

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Conformational analysis of complex oligosaccharides: the CICADA approach to the uromodulin O-glycans

Carbohydrate research, 2004-04, Vol.339 (5), p.949-959

2004

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Computational modeling of protein-carbohydrate interactions: Current trends and future challenges

Computational tools for drawing, building and displaying carbohydrates: a visual guide

Molecular Basis of Ca2+-Induced Gelation in Alginates and Pectins: The Egg-Box Model Revisited

The exopolysaccharide properties and structures database: EPS-DB. Application to bacterial exopolysaccharides

Structural view of glycosaminoglycan–protein interactions

Carbohydrate-Protein Interactions: Molecular Modeling Insights

Glycoscience@Synchrotron: Synchrotron radiation applied to structural glycoscience

Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus

Conformational Preferences of the O‑Antigen Polysaccharides of Escherichia coli O5ac and O5ab Using NMR Spectroscopy and Molecular Modeling

Structure and Engineering of Celluloses

Innovation potentials triggered by glycoscience research

Glycosaminoglycan-mimetic infernan grafted with poly(N-isopropylacrylamide): Toward a thermosensitive polysaccharide

Experimental and theoretical investigation on interactions between xylose-containing hemicelluloses and procyanidins

Interactions between infernan and calcium: From the molecular level to the mechanical properties of microgels

Synthesis and X-ray crystallographic investigation of N-(β-d-glycosyl)butanamides derived from GlcNAc and chitobiose as analogs of the conserved chitobiosylasparagine linkage of N-glycoproteins

Negatively Charged Glyconanoparticles Modulate and Stabilize the Secondary Structures of a gp120 V3 Loop Peptide: Toward Fully Synthetic HIV Vaccine Candidates

A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with α,β-unsaturated lactones and with cyclic vinyl ethers: Part 1

The molecular structure of waxy maize starch nanocrystals

Chain−Chain Interactions for Methyl Polygalacturonate: Models for High Methyl-Esterified Pectin Junction Zones

Examination of the effect of structural variation on the N-glycosidic torsion ( Φ N) among N-(β- d-glycopyranosyl)acetamido and propionamido derivatives of monosaccharides based on crystallography and quantum chemical calculations

A DFT study of 1,3-dipolar cycloadditions of cyclic nitrones to unsaturated lactones. Part II

A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates

The three-dimensional structure of the mega-oligosaccharide rhamnogalacturonan II monomer: a combined molecular modeling and NMR investigation

The preferred conformations of the four oligomeric fragments of Rhamnogalacturonan II

Conformational analysis of complex oligosaccharides: the CICADA approach to the uromodulin O-glycans

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