Sérgio Manuel Marques, PhD.

2025

• Acridine-Based Chalcone 1C and ABC Transporters

  FRANKO Ondrej CIZMARIKOVA Martina KELLO Martin MICHALKOVA Radka WESOLOWSKA Olga SRODA-POMIANEK Kamila MARQUES Sérgio Manuel BEDNÁŘ David HAZIKOVA Viktoria LISKA Tomas Jan HABALOVA Viera

  Article in Periodical

  International Journal of Molecular Sciences, year: 2025, volume: 26, edition: 9, DOI

• Caver Web 2.0: analysis of tunnels and ligand transport in dynamic ensembles of proteins

  MARQUES Sérgio Manuel BORKO Simeon VÁVRA Ondřej DVORSKÝ Jan KOHOUT Petr KABOUREK Petr HEJTMÁNEK Lukáš DAMBORSKÝ Jiří BEDNÁŘ David

  Article in Periodical

  Nucleic acids research, year: 2025, volume: 53, edition: May 2025, DOI

• Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands

  HALFAR Radek DAMBORSKÝ Jiří MARQUES Sérgio Manuel MARTINOVIC Jan

  Article in Periodical

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

2024

• Azobenzene-Based Photoswitchable Substrates for Advanced Mechanistic Studies of Model Haloalkane Dehalogenase Enzyme Family

  SLÁNSKÁ Michaela ŠTACKOVÁ Lenka MARQUES Sérgio Manuel ŠTACKO Peter MARTÍNEK Marek JÍLEK Luboš TOUL Martin DAMBORSKÝ Jiří BEDNÁŘ David KLÁN Petr PROKOP Zbyněk

  Article in Periodical

  ACS Catalysis, year: 2024, volume: 14, edition: 15, DOI

• CoVAMPnet: Comparative Markov State Analysis for Studying Effects of Drug Candidates on Disordered Biomolecules

  MARQUES Sérgio Manuel KOUBA Petr LEGRAND Anthony Thomas P SEDLAR Jiri DISSON Lucas PLANAS IGLESIAS Joan SANUSI Zainab Kemi KUNKA Antonín DAMBORSKÝ Jiří PAJDLA Tomas PROKOP Zbyněk MAZURENKO Stanislav SIVIC Josef BEDNÁŘ David

  Article in Periodical

  JACS AU, year: 2024, volume: 4, edition: 6, DOI

• Fotoaktivovatelný substrát na bázi azobenzenu pro halogenalkandehalogenázy

  SLÁNSKÁ Michaela ŠTACKOVÁ Lenka MARQUES Sérgio Manuel ŠTACKO P. MARTÍNEK Marek JÍLEK Luboš TOUL Martin DAMBORSKÝ Jiří BEDNÁŘ David KLÁN Petr PROKOP Zbyněk

  Outcomes put into operation (prototype, working sample)

  Year: 2024

• IDENTIFICATION OF NOVEL CYTOKININS BY MOLECULAR DOCKING

  PUSHKAROVA Nadiia HENNELOVA Jana MARQUES Sérgio Manuel BEDNÁŘ David PARUCH Kamil AKAVARAM Naresh SPICHAL L. DAMBORSKÝ Jiří YEMETS A. HEJÁTKO Jan

  Conference abstract

  Year: 2024, type: Conference abstract

• InVADo: Interactive Visual Analysis of Molecular Docking Data

  SCHÄFER Marco BRICH Nicolas BYŠKA Jan MARQUES Sérgio Manuel BEDNÁŘ David THIEL Philipp KOZLÍKOVÁ Barbora KRONE Michael

  Article in Periodical

  IEEE Transactions on Visualization and Computer Graphics, year: 2024, volume: 30, edition: 4, DOI

2023

• Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning

  KUNKA Antonín MARQUES Sérgio Manuel HAVLÁSEK Martin VAŠINA Michal VELÁTOVÁ Nikola CENGELOVÁ Lucia KOVÁŘ David DAMBORSKÝ Jiří MAREK Martin BEDNÁŘ David PROKOP Zbyněk

  Article in Periodical

  ACS Catalysis, year: 2023, volume: 13, edition: 19, DOI

• Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum

  ŠNAJDAROVÁ Karolína MARQUES Sérgio Manuel DAMBORSKÝ Jiří BEDNÁŘ David MAREK Martin

  Article in Periodical

  Acta Crystallographica Section D: Structural Biology, year: 2023, volume: 79, edition: November, DOI