Sérgio Manuel Marques, PhD.

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

• 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

• Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer’s Disease drug candidate

  NEMERGUT Michal MARQUES Sérgio Manuel UHRÍK Lukáš VÁŇOVÁ Tereza NEZVEDOVÁ Markéta GADARA Darshak Chandulal JHA Durga TULIS Jan NOVÁKOVÁ Veronika PLANAS IGLESIAS Joan KUNKA Antonín LEGRAND Anthony Thomas P HŘÍBKOVÁ Hana POSPÍŠILOVÁ Veronika SEDMÍK Jiří RAŠKA Jan PROKOP Zbyněk DAMBORSKÝ Jiří BOHAČIAKOVÁ Dáša SPÁČIL Zdeněk HERNYCHOVÁ Lenka BEDNÁŘ David MAREK Martin

  Article in Periodical

  Molecular Neurodegeneration, year: 2023, volume: 18, edition: 1, DOI

• Illuminating the mechanism and allosteric behavior of NanoLuc luciferase

  NEMERGUT Michal PLUSKAL Daniel HORÁČKOVÁ Jana ŠUSTROVÁ Tereza TULIS Jan BÁRTA Tomáš BAATALLAH Racha GAGNOT Glwadys NOVÁKOVÁ Veronika MAJEROVÁ Marika SEDLÁČKOVÁ Karolina MARQUES Sérgio Manuel TOUL Martin DAMBORSKÝ Jiří PROKOP Zbyněk BEDNÁŘ David JANIN Yves L. MAREK Martin

  Article in Periodical

  Nature Communications, year: 2023, volume: 14, edition: 1, DOI

• sMolBoxes: Dataflow Model for Molecular Dynamics Exploration

  ULBRICH Pavol WALDNER Manuela FURMANOVÁ Katarína MARQUES Sérgio Manuel BEDNÁŘ David KOZLÍKOVÁ Barbora BYŠKA Jan

  Article in Periodical

  IEEE Transactions on Visualization and Computer Graphics, year: 2023, volume: 29, edition: 1, DOI

2022

• Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening

  RAPP Lea R. MARQUES Sérgio Manuel NEBEL Bernd DAMBORSKÝ Jiří HAUER Bernhard

  Article in Periodical

  ChemCatChem, year: 2022, volume: 14, edition: 6, DOI