Mgr. Ondřej Vávra, Ph.D.

2024

• ChannelsDB 2.0: a comprehensive database of protein tunnels and pores in AlphaFold era

  ŠPAČKOVÁ Anna VÁVRA Ondřej RAČEK Tomáš BAZGIER Václav SEHNAL David DAMBORSKÝ Jiří SVOBODOVÁ Radka BEDNÁŘ David BERKA Karel

  Article in Periodical

  Nucleic Acids Research, year: 2024, volume: 52, edition: D1, DOI

• Large-scale annotation of biochemically relevant pockets and tunnels in cognate enzyme-ligand complexes

  VÁVRA Ondřej TYZACK J. HADDADI Faraneh DVORSKÝ Jan DAMBORSKÝ Jiří MAZURENKO Stanislav THORNTON J.M. BEDNÁŘ David

  Article in Periodical

  Journal of Cheminformatics, year: 2024, volume: 16, edition: 1, DOI

2023

• ChannelsDB 2.0: A Comprehensive Database of Protein Tunnels and Pores in AlphaFold Era

  ŠPAČKOVÁ Anna VÁVRA Ondřej RAČEK Tomáš BAZGIER Václav SEHNAL David DAMBORSKÝ Jiří SVOBODOVÁ Radka BERKA Karel

  Conference abstract

  Year: 2023, type: Conference abstract

• pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support

  VÁVRA Ondřej BERANEK Jakub ŠTOURAČ Jan SURKOVSKY Martin FILIPOVIČ Jiří DAMBORSKÝ Jiří MARTINOVIC Jan BEDNÁŘ David

  Article in Periodical

  Bioinformatics, year: 2023, volume: 39, edition: 8, DOI

2022

• Fast approximative methods for study of ligand transport and rational design of improved enzymes for biotechnologies

  VÁVRA Ondřej DAMBORSKÝ Jiří BEDNÁŘ David

  Article in Periodical

  Biotechnology Advances, year: 2022, volume: 60, edition: November, DOI

2021

• Computational enzyme design for metabolic engineering

  DAMBORSKÝ Jiří BEDNÁŘ David PROKOP Zbyněk MAREK Martin MAZURENKO Stanislav ŠTOURAČ Jan MARQUES Sérgio Manuel FONSECA PINTO Gabriela Filipa PLANAS IGLESIAS Joan MUSIL Miloš HON Jiří VÁVRA Ondřej KHAN Rayyan Tariq FILIPOVIČ Jiří KOZLÍKOVÁ Barbora

  Conference abstract

  Year: 2021, type: Conference abstract

• Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning

  RANGEL PAMPLONA PIZARRO PINTO José Gaspar VÁVRA Ondřej MARQUES Sérgio Manuel FILIPOVIČ Jiří BEDNÁŘ David DAMBORSKÝ Jiří

  Article in Periodical

  Computational and Structural Biotechnology Journal, year: 2021, volume: 19, edition: May, DOI

• Simulation of Ligand Transport in Receptors Using CaverDock

  HOZZOVÁ Jana VÁVRA Ondřej BEDNÁŘ David FILIPOVIČ Jiří

  Chapter of a book

  Protein-Ligand Interactions and Drug Design, year: 2021, number of pages: 20 s.

2020

• CaverDock: A Novel Method for the Fast Analysis of Ligand Transport

  FILIPOVIČ Jiří VÁVRA Ondřej PLHÁK Jan BEDNÁŘ David MARQUES Sérgio Manuel BREZOVSKÝ Jan MATYSKA Luděk DAMBORSKÝ Jiří

  Article in Periodical

  IEEE/ACM Transactions on Computational Biology and Bioinformatics, year: 2020, volume: 17, edition: 5, DOI

• DockVis: Visual Analysis of Molecular Docking Trajectories

  FURMANOVÁ Katarína VÁVRA Ondřej KOZLÍKOVÁ Barbora DAMBORSKÝ Jiří VONÁSEK Vojtěch BEDNÁŘ David BYŠKA Jan

  Article in Periodical

  Computer Graphics Forum, year: 2020, volume: 39, edition: 6, DOI