Mgr. Aleš Křenek, Ph.D.

2026

• AlphaFind v2: Similarity Search in AlphaFold DB and TED Domains across Structural Contexts - data

  SLANINÁKOVÁ Terézia ROŠINEC Adrián ČILLÍK Jakub KŘENEK Aleš GREŠOVÁ Katarína PORUBSKÁ Jana MARŠÁLKOVÁ Eva OĽHA Jaroslav PROCHÁZKA David HEJTMÁNEK Lukáš DOHNAL Vlastislav BERKA Karel SVOBODOVÁ Radka ANTOL Matej

  Specialized database

  Year: 2026, type: Specialized database

• GROMACS MetaDump: A tool to describe molecular dynamics simulations with powerful metadata

  SLANINÁKOVÁ Terézia ROŠINEC Adrián PAVLÍK Tomáš RANDIAK Róbert SVOBODA Tomáš RAČEK Tomáš BUČEKOVÁ Gabriela SCHINDLER Ondřej ANTOL Matej KŘENEK Aleš BERKA Karel SVOBODOVÁ Radka

  Conference abstract

  Year: 2026, type: Conference abstract

• MDDash – one stop shop for MD simulations

  KRÁSA Filip ROŠINEC Adrián ONDREJKA Adam KŘENEK Aleš

  Conference abstract

  Year: 2026, type: Conference abstract

• MDFind: Federated search for molecular dynamics data

  ROŠINEC Adrián PAVLÍK Tomáš SLANINÁKOVÁ Terézia KŘENEK Aleš ANTOL Matej SVOBODOVÁ Radka

  Conference abstract

  Year: 2026, type: Conference abstract

2025

• AlphaFind 2.0 – Enhanced structural similarity search for AlphaFold database

  SLANINÁKOVÁ Terézia ČILLÍK Jakub ROŠINEC Adrián GREŠOVÁ Katarína KŘENEK Aleš PORUBSKÁ Jana SVOBODOVÁ Radka ANTOL Matej

  Appeared in Conference without Proceedings

  Year: 2025, type: Appeared in Conference without Proceedings

• GROMACS MetaDump

  ROŠINEC Adrián SLANINÁKOVÁ Terézia PAVLÍK Tomáš RANDIAK Róbert SVOBODA Tomáš RAČEK Tomáš BUČEKOVÁ Gabriela SCHINDLER Ondřej ANTOL Matej KŘENEK Aleš BERKA Karel SVOBODOVÁ Radka

  Software

  Year: 2025

• Gromacs MetaDump: a tool for extracting GROMACS simulation metadata

  ROŠINEC Adrián SLANINÁKOVÁ Terézia PAVLÍK Tomáš RANDIAK Róbert SVOBODA Tomáš RAČEK Tomáš BUČEKOVÁ Gabriela SCHINDLER Ondřej ANTOL Matej KŘENEK Aleš BERKA Karel SVOBODOVÁ Radka

  Article in Periodical

  Journal of Cheminformatics, year: 2025, volume: 17, edition: 1, DOI

• Refining Structure-Based Search in AlphaFold DB: Including confidence metrics into AlphaFind

  SLANINÁKOVÁ Terézia MARŠÁLKOVÁ Eva GREŠOVÁ Katarína KŘENEK Aleš OĽHA Jaroslav PAVLÍK Tomáš ŠPRINGEROVÁ Pavlína SEHNAL David ANTOL Matej

  Conference abstract

  Year: 2025, type: Conference abstract

• SpecTUS: Spectral Translator for Unknown Structures annotation from EI-MS spectra

  HÁJEK Adam HECHT Helge PRICE Elliott James KŘENEK Aleš

  Article in Periodical

2024

• Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics

  HRADISKÁ Helena KUREČKA Martin BERÁNEK Jan TEDESCHI Guglielmo VIŠŇOVSKÝ Vladimír KŘENEK Aleš SPIWOK Vojtěch

  Article in Periodical

  The Journal of Physical Chemistry B, year: 2024, volume: 128, edition: 4, DOI