Total number of publications: 20
2025
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Caver Web 2.0: analysis of tunnels and ligand transport in dynamic ensembles of proteins
Nucleic acids research, year: 2025, volume: 53, edition: May 2025, DOI
2024
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ChannelsDB 2.0: a comprehensive database of protein tunnels and pores in AlphaFold era
Nucleic Acids Research, year: 2024, volume: 52, edition: D1, DOI
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Klasifikátor vazebných kapes v proteinech založený na strojovém učení
Year: 2024
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Large-scale annotation of biochemically relevant pockets and tunnels in cognate enzyme-ligand complexes
Journal of Cheminformatics, year: 2024, volume: 16, edition: 1, DOI
2023
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ChannelsDB 2.0: A Comprehensive Database of Protein Tunnels and Pores in AlphaFold Era
Year: 2023, type: Conference abstract
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pyCaverDock: Python implementation of the popular tool for analysis of ligand transport with advanced caching and batch calculation support
Bioinformatics, year: 2023, volume: 39, edition: 8, DOI
2022
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Fast approximative methods for study of ligand transport and rational design of improved enzymes for biotechnologies
Biotechnology Advances, year: 2022, volume: 60, edition: November, DOI
2021
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Computational enzyme design for metabolic engineering
Year: 2021, type: Conference abstract
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Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning
Computational and Structural Biotechnology Journal, year: 2021, volume: 19, edition: May, DOI
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Simulation of Ligand Transport in Receptors Using CaverDock
Protein-Ligand Interactions and Drug Design, year: 2021, number of pages: 20 s.