Sérgio M. Marques

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Decoding Protein Stabilization: Impact on Aggregation, Solubility, and Unfolding Mechanisms.
J. Chem. Inf. Model.
Martin Havlásek, Sérgio M. Marques, Veronika Szotkowska, Antonin Kunka, Petra Babková, Jirí Damborský, Zbynek Prokop, David Bednár
2025 J jnl
Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands.
J. Cheminformatics
Radek Halfar, Jirí Damborský, Sérgio M. Marques, Jan Martinovic
2024 J jnl
InVADo: Interactive Visual Analysis of Molecular Docking Data.
IEEE Trans. Vis. Comput. Graph.
Marco Schäfer, Nicolas Brich, Jan Byska, Sérgio M. Marques, David Bednár, Philipp Thiel, Barbora Kozlíková, Michael Krone
2023 J jnl
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration.
IEEE Trans. Vis. Comput. Graph.
Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska
2022 J jnl
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration.
CoRR
Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska
2020 J jnl
CaverDock: A Novel Method for the Fast Analysis of Ligand Transport.
IEEE ACM Trans. Comput. Biol. Bioinform.
Jiri Filipovic, Ondrej Vávra, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Ludek Matyska, Jirí Damborský
2019 J jnl
Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization.
Comput. Graph. Forum
Jan Byska, Thomas Trautner, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková, Manuela Waldner
2019 J jnl
CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels.
Bioinform.
Ondrej Vavra, Jiri Filipovic, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Jan Stourac, Ludek Matyska, Jirí Damborský
2018 J jnl
CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.
Bioinform.
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
2017 J jnl
Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling.
J. Chem. Inf. Model.
Sérgio M. Marques, Zuzana Dunajova, Zbynek Prokop, Radka Chaloupkova, Jan Brezovsky, Jirí Damborský
2017 — conf
Watergate: Visual Exploration of Water Trajectories in Protein Dynamics.
VCBM
Viktor Vad, Jan Byska, Adam Jurcík, Ivan Viola, M. Eduard Gröller, Helwig Hauser, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková
2009 J jnl
Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors.
J. Chem. Inf. Model.
Tiziano Tuccinardi, Gabriella Ortore, M. Amélia Santos, Sérgio M. Marques, Elisa Nuti, Armando Rossello, Adriano Martinelli