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Multifaceted Computational Modeling in Glycoscience

Chemical reviews, 2022-10, Vol.122 (20), p.15914-15970

2022

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The Mutual Incorporation of Mg2+ and CO32− into Hydroxyapatite: A DFT Study

Materials, 2022-12, Vol.15 (24), p.9046

2022

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Unraveling the complex enzymatic machinery making a key galactolipid in chloroplast membrane: a multiscale computer simulation

Scientific reports, 2020-08, Vol.10 (1), p.13514-13514, Article 13514

2020

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Multiscale Molecular Dynamics Studies Reveal Different Modes of Receptor Clustering by Gb3-Binding Lectins

Journal of chemical theory and computation, 2021-04, Vol.17 (4), p.2488-2501

2021

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Interaction-Induced Structural Transformations in Polysaccharide and Protein-Polysaccharide Gels as Functional Basis for Novel Soft-Matter: A Case of Carrageenans

Gels, 2022-05, Vol.8 (5), p.287

2022

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Genetic code expansion in E. coli enables production of a functional ‘ready-to-click’ T cell receptor-specific scFv

New biotechnology, 2023-09, Vol.76, p.127-137

2023

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A bispecific, crosslinking lectibody activates cytotoxic T cells and induces cancer cell death

Journal of translational medicine, 2022-12, Vol.20 (1), p.578-578, Article 578

2022

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Svx Peptidases of Phytopathogenic Pectolytic Bacteria: Structural, Catalytic and Phytoimmune Properties

International journal of molecular sciences, 2024-01, Vol.25 (2), p.756

2024

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Expression and purification of recombinant extracellular sulfatase HSulf-2 allows deciphering of enzyme sub-domain coordinated role for the binding and 6-O-desulfation of heparan sulfate

Cellular and molecular life sciences : CMLS, 2019-05, Vol.76 (9), p.1807-1819

2019

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Sulfated Polysaccharides as a Fighter with Protein Non-Physiological Aggregation: The Role of Polysaccharide Flexibility and Charge Density

International journal of molecular sciences, 2023-11, Vol.24 (22), p.16223

2023

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Structure-Functional Characteristics of the Svx Protein—The Virulence Factor of the Phytopathogenic Bacterium Pectobacterium atrosepticum

International journal of molecular sciences, 2022-07, Vol.23 (13), p.6914

2022

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Aggregation of Amyloidogenic Peptide Uperin-Molecular Dynamics Simulations

Molecules (Basel, Switzerland), 2023-05, Vol.28 (10), p.4070

2023

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Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense

Structure (London), 2018-03, Vol.26 (3), p.391-402.e4

2018

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Regulation of Intersubunit Interactions in Homotetramer of Glyceraldehyde-3-Phosphate Dehydrogenases upon Its Immobilization in Protein-Kappa-Carrageenan Gels

Polymers, 2023-01, Vol.15 (3), p.676

2023

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A Shiga Toxin B-Subunit-Based Lectibody Boosts T Cell Cytotoxicity towards Gb3-Positive Cancer Cells

Cells (Basel, Switzerland), 2023-07, Vol.12 (14), p.1896

2023

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Influence of Al on the Structure and in Vitro Behavior of Hydroxyapatite Nanopowders

The journal of physical chemistry. B, 2019-10, Vol.123 (43), p.9143-9154

2019

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Spatial structures of rhamnogalacturonan I in gel and colloidal solution identified by 1D and 2D-FTIR spectroscopy

Carbohydrate polymers, 2018-07, Vol.192, p.231-239

2018

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The In Silico Characterization of Monocotyledonous α-l-Arabinofuranosidases on the Example of Maize

Life (Basel, Switzerland), 2023-01, Vol.13 (2), p.266

2023

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Fibril fragments from the amyloid core of lysozyme: An accelerated molecular dynamics study

Journal of molecular graphics & modelling, 2021-07, Vol.106, p.107917-107917, Article 107917

2021

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Metrics of rhamnogalacturonan I with β-(1→4)-linked galactan side chains and structural basis for its self-aggregation

Carbohydrate polymers, 2017-02, Vol.158, p.93-101

2017

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κ-Carrageenan Hydrogel as a Matrix for Therapeutic Enzyme Immobilization

Polymers, 2022-09, Vol.14 (19), p.4071

2022

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Mechanism of activation of plant monogalactosyldiacylglycerol synthase 1 (MGD1) by phosphatidylglycerol

Glycobiology (Oxford), 2020-05, Vol.30 (6), p.396-406

2020

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Peculiarities of charge compensation in lithium-doped hydroxyapatite

Heliyon, 2024-02, Vol.10 (4), p.e25291-e25291, Article e25291

2024

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The Ability of Some Polysaccharides to Disaggregate Lysozyme Amyloid Fibrils and Renature the Protein

Pharmaceutics, 2023-02, Vol.15 (2), p.624

2023

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Mesoporous Iron(III)-Doped Hydroxyapatite Nanopowders Obtained via Iron Oxalate

Nanomaterials (Basel, Switzerland), 2021-03, Vol.11 (3), p.811

2021

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Multifaceted Computational Modeling in Glycoscience

The Mutual Incorporation of Mg2+ and CO32− into Hydroxyapatite: A DFT Study

Unraveling the complex enzymatic machinery making a key galactolipid in chloroplast membrane: a multiscale computer simulation

Multiscale Molecular Dynamics Studies Reveal Different Modes of Receptor Clustering by Gb3-Binding Lectins

Interaction-Induced Structural Transformations in Polysaccharide and Protein-Polysaccharide Gels as Functional Basis for Novel Soft-Matter: A Case of Carrageenans

Genetic code expansion in E. coli enables production of a functional ‘ready-to-click’ T cell receptor-specific scFv

A bispecific, crosslinking lectibody activates cytotoxic T cells and induces cancer cell death

Svx Peptidases of Phytopathogenic Pectolytic Bacteria: Structural, Catalytic and Phytoimmune Properties

Expression and purification of recombinant extracellular sulfatase HSulf-2 allows deciphering of enzyme sub-domain coordinated role for the binding and 6-O-desulfation of heparan sulfate

Sulfated Polysaccharides as a Fighter with Protein Non-Physiological Aggregation: The Role of Polysaccharide Flexibility and Charge Density

Structure-Functional Characteristics of the Svx Protein—The Virulence Factor of the Phytopathogenic Bacterium Pectobacterium atrosepticum

Aggregation of Amyloidogenic Peptide Uperin-Molecular Dynamics Simulations

Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense

Regulation of Intersubunit Interactions in Homotetramer of Glyceraldehyde-3-Phosphate Dehydrogenases upon Its Immobilization in Protein-Kappa-Carrageenan Gels

A Shiga Toxin B-Subunit-Based Lectibody Boosts T Cell Cytotoxicity towards Gb3-Positive Cancer Cells

Influence of Al on the Structure and in Vitro Behavior of Hydroxyapatite Nanopowders

Spatial structures of rhamnogalacturonan I in gel and colloidal solution identified by 1D and 2D-FTIR spectroscopy

The In Silico Characterization of Monocotyledonous α-l-Arabinofuranosidases on the Example of Maize

Fibril fragments from the amyloid core of lysozyme: An accelerated molecular dynamics study

Metrics of rhamnogalacturonan I with β-(1→4)-linked galactan side chains and structural basis for its self-aggregation

κ-Carrageenan Hydrogel as a Matrix for Therapeutic Enzyme Immobilization

Mechanism of activation of plant monogalactosyldiacylglycerol synthase 1 (MGD1) by phosphatidylglycerol

Peculiarities of charge compensation in lithium-doped hydroxyapatite

The Ability of Some Polysaccharides to Disaggregate Lysozyme Amyloid Fibrils and Renature the Protein

Mesoporous Iron(III)-Doped Hydroxyapatite Nanopowders Obtained via Iron Oxalate

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