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Sérgio M. Marques

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Journal Articles

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2024
[j8]
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  - journals/tvcg/SchaferBBMBTKK24
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  - https://dblp.org/rec/journals/tvcg/SchaferBBMBTKK24
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]
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  - journals/tvcg/UlbrichWFMBKB23
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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)
2020
[j6]
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  - journals/tcbb/FilipovicVPBMBM20
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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)
2019
[j5]
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  - journals/bioinformatics/VavraFPBMBSMD19
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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]
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  - journals/cgf/ByskaTMDKW19
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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]
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  - journals/bioinformatics/JurcikBBMFDKBSS18
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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]
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  - journals/jcisd/MarquesDPCBD17
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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)
2009
[j1]
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  - journals/jcisd/TuccinardiOSMNRM09
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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)

Conference and Workshop Papers

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2017
[c1]
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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

Informal and Other Publications

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2022
[i1]
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  - journals/corr/abs-2209-11771
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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)

Coauthor Index

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