Interdisciplinary approach to study biological systems at the molecular level
- Project Identification
- LTC17076
- Project Period
- 5/2017 - 3/2020
- Investor / Pogramme / Project type
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Ministry of Education, Youth and Sports of the CR
- INTER-EXCELLENCE
- INTER-COST
- MU Faculty or unit
- Central European Institute of Technology
Projekt je zaměřen na integrativní inovační biofyzikální přístupy pro studium proteinů specificky rozpoznávajících sacharidy podílejících se na interakci hostitel-patogen a dále enzymů zapojených do biosyntézy glykokonjugátů. Studované téma je v souladu s akcí COST CA15126 zaměřením na vývoj nových metodologií a technologií, které mají pomoci posunout existující biofyzikální instrumentaci novými nejmodernějšími směry.
Publications
Total number of publications: 11
2020
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Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate Translocation
ACS Omega, year: 2020, volume: 5, edition: 34, DOI
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Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold
International journal of biological macromolecules, year: 2020, volume: 152, edition: JUN, DOI
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The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification
Chemistry - A European Journal, year: 2020, volume: 26, edition: 47, DOI
2019
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Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family
Molecules, year: 2019, volume: 24, edition: 24, DOI
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Synthesis of beta-D-galactopyranoside-Presenting Glycoclusters, Investigation of Their Interactions with Pseudomonas aeruginosa Lectin A (PA-IL) and Evaluation of Their Anti-Adhesion Potential
Biomolecules, year: 2019, volume: 9, edition: 11, DOI
2018
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AB21, a protein of unknown function from Agaricus bisporus. A case study on utilizing experimental and bioinformatical approaches for functional assignment of unknown proteins
Year: 2018, type: Conference abstract
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Assessing the Performance of MM/PBSA, MM/GBSA, and QM-MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions
Journal of Physical Chemistry B, year: 2018, volume: 122, edition: 34, DOI
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Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions
Journal of Chemical Theory and Computation, year: 2018, volume: 14, edition: 1, DOI
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How Mycobacterium tuberculosis Galactofuranosyl Transferase2 (GlfT2) Generates Alternating beta-(1-6) and beta-(1-5) Linkages: AQM/MM Molecular Dynamics Study of the Chemical Steps
Chemistry - A European Journal, year: 2018, volume: 24, edition: 27, DOI
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Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins
Proteins : structure, function, and genetics, year: 2018, volume: 86, edition: 9, DOI