Interdisciplinary approach to study biological systems at the molecular level

2020

• Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate Translocation

  JANOŠ Pavel TVAROŠKA Igor DELLAGO Christoph KOČA Jaroslav

  Article in Periodical

  ACS Omega, year: 2020, volume: 5, edition: 34, DOI

• Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold

  SÝKOROVÁ Petra NOVOTNÁ Jitka DEMO Gabriel POMPIDOR Guillaume DUBSKÁ Eva KOMÁREK Jan FUJDIAROVÁ Eva HOUSER Josef HÁRONÍKOVÁ Lucia VARROT Annabelle SHILOVA Nadya IMBERTY Anne BOVIN Nicolai POKORNÁ Martina WIMMEROVÁ Michaela

  Article in Periodical

  International journal of biological macromolecules, year: 2020, volume: 152, edition: JUN, DOI

• The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification

  HOUSER Josef KOZMON Stanislav MISHRA Deepti HAMMEROVÁ Zuzana WIMMEROVÁ Michaela KOČA Jaroslav

  Article in Periodical

  Chemistry - A European Journal, year: 2020, volume: 26, edition: 47, DOI

2019

• Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family

  FALTINEK Lukáš FUJDIAROVÁ Eva MELICHER Filip HOUSER Josef KAŠÁKOVÁ Martina KONDAKOV Nikolay KONONOV Leonid PARKAN Kamil VIDAL Sébastien WIMMEROVÁ Michaela

  Article in Periodical

  Molecules, year: 2019, volume: 24, edition: 24, DOI

• 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

  MALINOVSKÁ Lenka THAI LE Son HERCZEG Mihály VAŠKOVÁ Michaela HOUSER Josef FUJDIAROVÁ Eva KOMÁREK Jan HODEK Petr BORBÁS Anikó WIMMEROVÁ Michaela CSÁVÁS Magdolna

  Article in Periodical

  Biomolecules, year: 2019, volume: 9, edition: 11, DOI

2018

• AB21, a protein of unknown function from Agaricus bisporus. A case study on utilizing experimental and bioinformatical approaches for functional assignment of unknown proteins

  KOMÁREK Jan KAVKOVÁ Eva HOUSER Josef HORÁČKOVÁ Aneta HOLKOVÁ Jitka DEMO Gabriel WIMMEROVÁ Michaela

  Conference abstract

  Year: 2018, type: Conference abstract

• 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

  MISHRA Sushil Kumar KOČA Jaroslav

  Article in Periodical

  Journal of Physical Chemistry B, year: 2018, volume: 122, edition: 34, DOI

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

  TRNKA Tomáš TVAROŠKA Igor KOČA Jaroslav

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2018, volume: 14, edition: 1, DOI

• 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

  JANOŠ Pavel KOZMON Stanislav TVAROŠKA Igor KOČA Jaroslav

  Article in Periodical

  Chemistry - A European Journal, year: 2018, volume: 24, edition: 27, DOI

• Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins

  KOMÁREK Jan KAVKOVÁ Eva HOUSER Josef HORÁČKOVÁ Aneta HOLKOVÁ Jitka DEMO Gabriel WIMMEROVÁ Michaela

  Article in Periodical

  Proteins : structure, function, and genetics, year: 2018, volume: 86, edition: 9, DOI