Sérgio M. Marques

Publication Activity (10 Years)

Years Active: 2009-2024
Publications (10 Years): 9

Top Topics

Protein Structure

Interactive Visual

Computational Modeling

Molecular Dynamics

Top Venues

IEEE Trans. Vis. Comput. Graph.

IEEE ACM Trans. Comput. Biol. Bioinform.

Publications

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) (2024)
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) (2023)
Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration. CoRR (2022)
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) (2020)
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) (2019)
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) (2019)
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) (2018)
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) (2017)
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)
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) (2009)