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ORCIDSérgio M. Marques
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2020 – today
- 2024
[j8]Marco Schäfer
, Nicolas Brich, Jan Byska, Sérgio M. Marques, David Bednár, Philipp Thiel, Barbora Kozlíková, Michael Krone:
InVADo: Interactive Visual Analysis of Molecular Docking Data. IEEE Trans. Vis. Comput. Graph. 30(4): 1984-1997 (2024)- 2023
- [j7]Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska:
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration. IEEE Trans. Vis. Comput. Graph. 29(1): 581-590 (2023) - 2022
- [i1]Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska:
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration. CoRR abs/2209.11771 (2022) - 2020
- [j6]Jiri Filipovic, Ondrej Vávra, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Ludek Matyska, Jirí Damborský:
CaverDock: A Novel Method for the Fast Analysis of Ligand Transport. IEEE ACM Trans. Comput. Biol. Bioinform. 17(5): 1625-1638 (2020)
2010 – 2019
- 2019
- [j5]Ondrej Vavra, Jiri Filipovic, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Jan Stourac, Ludek Matyska, Jirí Damborský:
CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels. Bioinform. 35(23): 4986-4993 (2019) - [j4]Jan Byska, Thomas Trautner, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková, Manuela Waldner:
Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization. Comput. Graph. Forum 38(3): 441-453 (2019) - 2018
- [j3]Adam Jurcík, David Bednar, Jan Byska, Sérgio M. Marques, Katarína Furmanová, Lukas Daniel, Piia Kokkonen, Jan Brezovsky, Ondrej Strnad, Jan Stourac, Antonín Pavelka, Martin Manak, Jirí Damborský, Barbora Kozlíková:
CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories. Bioinform. 34(20): 3586-3588 (2018) - 2017
- [j2]Sérgio M. Marques, Zuzana Dunajova, Zbynek Prokop, Radka Chaloupkova, Jan Brezovsky, Jirí Damborský:
Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling. J. Chem. Inf. Model. 57(8): 1970-1989 (2017) - [c1]Viktor Vad, Jan Byska, Adam Jurcík, Ivan Viola, M. Eduard Gröller, Helwig Hauser, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková:
Watergate: Visual Exploration of Water Trajectories in Protein Dynamics. VCBM 2017: 33-42
2000 – 2009
- 2009
- [j1]Tiziano Tuccinardi, Gabriella Ortore, M. Amélia Santos, Sérgio M. Marques, Elisa Nuti, Armando Rossello, Adriano Martinelli:
Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors. J. Chem. Inf. Model. 49(7): 1715-1724 (2009)
Coauthor Index
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