Sérgio M. Marques

According to our database, Sérgio M. Marques authored at least 11 papers between 2009 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands.

Radek Halfar, Jirí Damborský, Sérgio M. Marques, Jan Martinovic

J. Cheminformatics, December, 2025

Decoding Protein Stabilization: Impact on Aggregation, Solubility, and Unfolding Mechanisms.

Martin Havlásek, Sérgio M. Marques, Veronika Szotkowska, Antonin Kunka, Petra Babková, Jirí Damborský, Zbynek Prokop, David Bednár

J. Chem. Inf. Model., 2025

2024

InVADo: Interactive Visual Analysis of Molecular Docking Data.

Marco Schäfer, Nicolas Brich, Jan Byska, Sérgio M. Marques, David Bednár, Philipp Thiel, Barbora Kozlíková, Michael Krone

IEEE Trans. Vis. Comput. Graph., April, 2024

2023

sMolBoxes: Dataflow Model for Molecular Dynamics Exploration.

Pavol Ulbrich, Manuela Waldner, Katarína Furmanová, Sérgio M. Marques, David Bednár, Barbora Kozlíková, Jan Byska

IEEE Trans. Vis. Comput. Graph., 2023

2020

CaverDock: A Novel Method for the Fast Analysis of Ligand Transport.

Jiri Filipovic, Ondrej Vávra, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Ludek Matyska, Jirí Damborský

IEEE ACM Trans. Comput. Biol. Bioinform., 2020

2019

Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization.

Jan Byska, Thomas Trautner, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková, Manuela Waldner

Comput. Graph. Forum, 2019

CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels.

Ondrej Vavra, Jiri Filipovic, Jan Plhak, David Bednar, Sérgio M. Marques, Jan Brezovsky, Jan Stourac, Ludek Matyska, Jirí Damborský

Bioinform., 2019

2018

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.

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

Bioinform., 2018

2017

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

Sérgio M. Marques, Zuzana Dunajova, Zbynek Prokop, Radka Chaloupkova, Jan Brezovsky, Jirí Damborský

J. Chem. Inf. Model., August, 2017

Watergate: Visual Exploration of Water Trajectories in Protein Dynamics.

Viktor Vad, Jan Byska, Adam Jurcík, Ivan Viola, M. Eduard Gröller, Helwig Hauser, Sérgio M. Marques, Jirí Damborský, Barbora Kozlíková

Proceedings of the VCBM 17: Eurographics Workshop on Visual Computing for Biology and Medicine, 2017

2009

Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors.

Tiziano Tuccinardi, Gabriella Ortore, M. Amélia Santos, Sérgio M. Marques, Elisa Nuti, Armando Rossello, Adriano Martinelli

J. Chem. Inf. Model., 2009