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Jakub Galgonek

Jakub Galgonek

jakub.galgonek@uochb.cas.cz

+420 220 183 294

Deputy group leader

Jiří Vondrášek Group

All publications

Selected papers

Interoperable chemical structure search service

M. Kratochvíl J. Vondrášek J. Galgonek

Journal of Cheminformatics 11 (28): 45 (2019)

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Sachem: a chemical cartridge for high-performance substructure search

M. Kratochvíl J. Vondrášek J. Galgonek

Journal of Cheminformatics 10 (23): 0-0 (2018)

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Amino Acid Interaction (INTAA) web server

J. Galgonek J. Vymětal D. Jakubec J. Vondrášek

Nucleic Acids Research 45 (W1): W388-W392 (2017)

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All publications

Latest publications

Fully automated virtual screening pipeline of FDA-approved drugs using Caver Web

M. Musil A. Jezik M. Jankujova J. Stourac J. Galgonek S. M. Eyrilmez J. Vondrášek J. Damborský D. Bednář

Computational and Structural Biotechnology Journal 20: 6512–6518 (2022)

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The LOTUS initiative for open knowledge management in natural products research

A. Rutz M. Sorokina J. Galgonek D. Mietchen E. Willighagen A. Gaudry J. G. Graham R. Stephan R. Page J. Vondrášek C. Steinbeck G. F. Pauli J. Wolfender J. Bisson P. Allard

eLife 11: e70780 (2022)

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Amino Acid Interactions (INTAA) web server v2.0: a single service for computation of energetics and conservation in biomolecular 3D structures

J. Vymětal D. Jakubec J. Galgonek J. Vondrášek

Nucleic Acids Research 49 (W1): W15–W20 (2021)

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IDSM ChemWebRDF: SPARQLing small-molecule datasets

J. Galgonek J. Vondrášek

Journal of Cheminformatics 13 (1): 38 (2021)

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