Sérgio Manuel Marques, PhD.

2018

• Evolutionary Analysis As a Powerful Complement to Energy Calculations for Protein Stabilization

  BEERENS Koen MAZURENKO Stanislav KUNKA Antonín MARQUES Sérgio Manuel HANSEN N. MUSIL Miloš CHALOUPKOVÁ Radka WATERMAN Jitka BREZOVSKÝ Jan BEDNÁŘ David PROKOP Zbyněk DAMBORSKÝ Jiří

  Article in Periodical

  ACS Catalysis, year: 2018, volume: 8, edition: 10, DOI

• Impact of the access tunnel engineering on catalysis is strictly ligand-specific

  KAUSHIK Shubhangi MARQUES Sérgio Manuel KHIRSARIYA Prashant Kumar PARUCH Kamil LIBICHOVÁ Lenka BREZOVSKÝ Jan PROKOP Zbyněk CHALOUPKOVÁ Radka DAMBORSKÝ Jiří

  Article in Periodical

  the FEBS Journal, year: 2018, volume: 285/2018, edition: 8, DOI

2017

• Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling

  MARQUES Sérgio Manuel DUNAJOVÁ Zuzana PROKOP Zbyněk CHALOUPKOVÁ Radka BREZOVSKÝ Jan DAMBORSKÝ Jiří

  Article in Periodical

  JOURNAL OF CHEMICAL INFORMATION AND MODELING, year: 2017, volume: 57, edition: 8, DOI

• CaverDock 1.0

  FILIPOVIČ Jiří VÁVRA Ondřej PLHÁK Jan BEDNÁŘ David MARQUES Sérgio Manuel BREZOVSKÝ Jan MATYSKA Luděk DAMBORSKÝ Jiří

  Software

  Year: 2017

• Enzyme Tunnels and Gates As Relevant Targets in Drug Design

  MARQUES Sérgio Manuel DANIEL Lukáš BURYŠKA Tomáš PROKOP Zbyněk BREZOVSKÝ Jan DAMBORSKÝ Jiří

  Article in Periodical

  MEDICINAL RESEARCH REVIEWS, year: 2017, volume: 37, edition: 5, DOI

• Watergate: Visual Exploration of Water Trajectories in Protein Dynamics

  VAD Viktor BYŠKA Jan JURČÍK Adam VIOLA Ivan GRÖLLER Eduard M. HAUSER Helwig MARQUES Sérgio Manuel DAMBORSKÝ Jiří KOZLÍKOVÁ Barbora

  Article in Proceedings

  Eurographics Workshop on Visual Computing for Biology and Medicine, year: 2017

2016

• Role of Tunnels and Gates in Enzymatic Catalysis

  MARQUES Sérgio Manuel BREZOVSKÝ Jan DAMBORSKÝ Jiří

  Chapter of a book

  UNDERSTANDING ENZYMES: FUNCTION, DESIGN, ENGINEERING, AND ANALYSIS, year: 2016, number of pages: 43 s.