Masarykova univerzita

Výpis publikací

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Filtrování publikací

    2021

  1. MARQUES, Sérgio Manuel, Lucie ŠUPOLÍKOVÁ, Lenka MOLČANOVÁ, Karel ŠMEJKAL, David BEDNÁŘ a Iva SLANINOVÁ. Screening of Natural Compounds as P-Glycoprotein Inhibitors against Multidrug Resistance. BIOMEDICINES. BASEL: MDPI, 2021, roč. 9, č. 4, s. 1-22. ISSN 2227-9059. doi:10.3390/biomedicines9040357.
  2. 2020

  3. FILIPOVIČ, Jiří, Ondřej VÁVRA, Jan PLHÁK, David BEDNÁŘ, Sérgio Manuel MARQUES, Jan BREZOVSKÝ, Luděk MATYSKA a Jiří DAMBORSKÝ. CaverDock: A Novel Method for the Fast Analysis of Ligand Transport. IEEE/ACM Transactions on Computational Biology and Bioinformatics. Los Alamitos: IEEE Computer Society, 2020, roč. 17, č. 5, s. 1625-1638. ISSN 1545-5963. doi:10.1109/TCBB.2019.2907492.
  4. MARKOVÁ, Klára, Klaudia CHMELOVÁ, Sérgio Manuel MARQUES, Philippe CARPENTIER, David BEDNÁŘ, Jiří DAMBORSKÝ a Martin MAREK. Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chemical Science. Cambridge: Royal Society of Chemistry, 2020, roč. 11, č. 41, s. 11162-11178. ISSN 2041-6520. doi:10.1039/d0sc03367g.
  5. 2019

  6. BYŠKA, Jan, Thomas TRAUTNER, Sérgio Manuel MARQUES, Jiří DAMBORSKÝ, Barbora KOZLÍKOVÁ a Manuela WALDNER. Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization. Computer Graphics Forum. Wiley-Blackwell, 2019, roč. 38, č. 3, s. 441-453. ISSN 0167-7055. doi:10.1111/cgf.13701.
  7. VÁVRA, Ondřej, Jiří FILIPOVIČ, Jan PLHÁK, David BEDNÁŘ, Sérgio Manuel MARQUES, Jan BREZOVSKÝ, Jan ŠTOURAČ, Luděk MATYSKA a Jiří DAMBORSKÝ. CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels. Bioinformatics. Oxford: Oxford University Press, 2019, roč. 35, č. 23, s. 4986-4993. ISSN 1367-4803. doi:10.1093/bioinformatics/btz386.
  8. MARQUES, Sérgio Manuel, David BEDNÁŘ a Jiří DAMBORSKÝ. Computational Study of Protein-Ligand Unbinding for Enzyme Engineering. FRONTIERS IN CHEMISTRY. LAUSANNE: FRONTIERS MEDIA SA, 2019, roč. 6, JAN 2019, s. 1-15. ISSN 2296-2646. doi:10.3389/fchem.2018.00650.
  9. CERNY, J., P. BOZIKOVA, A. BALIK, Sérgio Manuel MARQUES a L. VYKLICKY. NMDA Receptor Opening and Closing-Transitions of a Molecular Machine Revealed by Molecular Dynamics. Biomolecules. BASEL: MDPI, 2019, roč. 9, č. 10, s. 1-17. ISSN 2218-273X. doi:10.3390/biom9100546.
  10. 2018

  11. JURČÍK, Adam, David BEDNÁŘ, Jan BYŠKA, Sérgio Manuel MARQUES, Katarína FURMANOVÁ, Lukáš DANIEL, Piia Pauliina KOKKONEN, Jan BREZOVSKÝ, Ondřej STRNAD, Jan ŠTOURAČ, Antonín PAVELKA, Martin MANAK, Jiří DAMBORSKÝ a Barbora KOZLÍKOVÁ. CAVER Analyst 2.0: Analysis and Visualization of Channels and Tunnels in Protein Structures and Molecular Dynamics Trajectories. Bioinformatics. 2018, roč. 34, č. 20, s. 3586-3588. ISSN 1367-4803. doi:10.1093/bioinformatics/bty386.
  12. BEERENS, Koen, Stanislav MAZURENKO, Antonín KUNKA, Sérgio Manuel MARQUES, N. HANSEN, Miloš MUSIL, Radka CHALOUPKOVÁ, Jitka WATERMAN, Jan BREZOVSKÝ, David BEDNÁŘ, Zbyněk PROKOP a Jiří DAMBORSKÝ. Evolutionary Analysis As a Powerful Complement to Energy Calculations for Protein Stabilization. ACS Catalysis. WASHINGTON: AMER CHEMICAL SOC, 2018, roč. 8, č. 10, s. 9420-9428. ISSN 2155-5435. doi:10.1021/acscatal.8b01677.
  13. KAUSHIK, Shubhangi, Sérgio Manuel MARQUES, Prashant Kumar KHIRSARIYA, Kamil PARUCH, Lenka LIBICHOVÁ, Jan BREZOVSKÝ, Zbyněk PROKOP, Radka CHALOUPKOVÁ a Jiří DAMBORSKÝ. Impact of the access tunnel engineering on catalysis is strictly ligand-specific. the FEBS Journal. 2018, roč. 285/2018, č. 8, s. 1456-1476. ISSN 1742-464X. doi:10.1111/febs.14418.
  14. 2017

  15. MARQUES, Sérgio Manuel, Zuzana DUNAJOVÁ, Zbyněk PROKOP, Radka CHALOUPKOVÁ, Jan BREZOVSKÝ a Jiří DAMBORSKÝ. Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling. JOURNAL OF CHEMICAL INFORMATION AND MODELING. DC USA: AMER CHEMICAL SOC, 2017, roč. 57, č. 8, s. 1970-1989. ISSN 1549-9596. doi:10.1021/acs.jcim.7b00070.
  16. MARQUES, Sérgio Manuel, Lukáš DANIEL, Tomáš BURYŠKA, Zbyněk PROKOP, Jan BREZOVSKÝ a Jiří DAMBORSKÝ. Enzyme Tunnels and Gates As Relevant Targets in Drug Design. MEDICINAL RESEARCH REVIEWS. Hoboken, USA: WILEY, 2017, roč. 37, č. 5, s. 1095-1139. ISSN 0198-6325. doi:10.1002/med.21430.
  17. VAD, Viktor, Jan BYŠKA, Adam JURČÍK, Ivan VIOLA, Eduard M. GRÖLLER, Helwig HAUSER, Sérgio Manuel MARQUES, Jiří DAMBORSKÝ a Barbora KOZLÍKOVÁ. Watergate: Visual Exploration of Water Trajectories in Protein Dynamics. In S. Bruckner, A. Hennemuth, and B. Kainz. Eurographics Workshop on Visual Computing for Biology and Medicine. Bremen, Germany: Eurographics Workshop on Visual Computing for Biology and Medicine, 2017. s. 33-42. ISBN 978-3-03868-036-9.
  18. 2016

  19. MARQUES, Sérgio Manuel, Jan BREZOVSKÝ a Jiří DAMBORSKÝ. Role of Tunnels and Gates in Enzymatic Catalysis. In Svendsen, A. UNDERSTANDING ENZYMES: FUNCTION, DESIGN, ENGINEERING, AND ANALYSIS. USA: Pan Stanford Publishing, 2016. s. 421-463. prvni 1. ISBN 978-981-4669-32-0.
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Zobrazeno: 15. 6. 2021 05:45