Vincent Zoete

Publication Activity (10 Years)

Years Active: 2003-2023
Publications (10 Years): 11

Top Topics

Scoring Function

High Throughput

Protein Homology

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

Briefings Bioinform.

Publications

Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig
Two-Step Covalent Docking with Attracting Cavities. J. Chem. Inf. Model. 63 (24) (2023)
Ute F. Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking. J. Chem. Inf. Model. 63 (12) (2023)
Marine Bugnon, Mathilde Goullieux, Ute F. Röhrig, Marta A. S. Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization. J. Chem. Inf. Model. 63 (21) (2023)
Alessandro Cuozzo, Antoine Daina, Marta A. S. Perez, Olivier Michielin, Vincent Zoete
SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface. Nucleic Acids Res. 50 (D1) (2022)
Vaishali P. Waman, Neeladri Sen, Mihaly Varadi, Antoine Daina, Shoshana J. Wodak, Vincent Zoete, Sameer Velankar, Christine A. Orengo
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies. Briefings Bioinform. 22 (2) (2021)
Antoine Daina, Olivier Michielin, Vincent Zoete
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. Nucleic Acids Res. 47 (Webserver-Issue) (2019)
Krystel El Hage, Vincent Zoete
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites. J. Chem. Inf. Model. 59 (11) (2019)
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
On-the-Fly QM/MM Docking with Attracting Cavities. J. Chem. Inf. Model. 57 (1) (2017)
Vincent Zoete, Thierry Schüpbach, Christophe Bovigny, Prasad Chaskar, Antoine Daina, Ute F. Röhrig, Olivier Michielin
Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. J. Comput. Chem. 37 (4) (2016)
Vincent Zoete, Antoine Daina, Christophe Bovigny, Olivier Michielin
SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening. J. Chem. Inf. Model. 56 (8) (2016)
David Gfeller, Vincent Zoete
Protein homology reveals new targets for bioactive small molecules. Bioinform. 31 (16) (2015)
Heinz Stockinger, Adrian M. Altenhoff, Konstantin Arnold, Amos Bairoch, Frederic B. Bastian, Sven Bergmann, Lydie Bougueleret, Philipp Bucher, Mauro Delorenzi, Lydie Lane, Philippe Le Mercier, Frédérique Lisacek, Olivier Michielin, Patricia M. Palagi, Jacques Rougemont, Torsten Schwede, Christian von Mering, Erik van Nimwegen, Daniel Walther, Ioannis Xenarios, Mihaela Zavolan, Evgeny M. Zdobnov, Vincent Zoete, Ron D. Appel
Fifteen years SIB Swiss Institute of Bioinformatics: life science databases, tools and support. Nucleic Acids Res. 42 (Webserver-Issue) (2014)
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function. J. Chem. Inf. Model. 54 (11) (2014)
Antoine Daina, Olivier Michielin, Vincent Zoete
-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach. J. Chem. Inf. Model. 54 (12) (2014)
David Gfeller, Aurélien Grosdidier, Matthias Wirth, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Res. 42 (Webserver-Issue) (2014)
David Gfeller, Olivier Michielin, Vincent Zoete
Shaping the interaction landscape of bioactive molecules. Bioinform. 29 (23) (2013)
Matthias Wirth, Andrea Volkamer, Vincent Zoete, Friedrich Rippmann, Olivier Michielin, Matthias Rarey, Wolfgang H. B. Sauer
Protein pocket and ligand shape comparison and its application in virtual screening. J. Comput. Aided Mol. Des. 27 (6) (2013)
David Gfeller, Olivier Michielin, Vincent Zoete
SwissSidechain: a molecular and structural database of non-natural sidechains. Nucleic Acids Res. 41 (Database-Issue) (2013)
Matthias Wirth, Vincent Zoete, Olivier Michielin, Wolfgang H. B. Sauer
SwissBioisostere: a database of molecular replacements for ligand design. Nucleic Acids Res. 41 (Database-Issue) (2013)
Maria U. Johansson, Vincent Zoete, Olivier Michielin, Nicolas Guex
Defining and searching for structural motifs using DeepView/Swiss-PdbViewer. BMC Bioinform. 13 (2012)
David Gfeller, Olivier Michielin, Vincent Zoete
Expanding molecular modeling and design tools to non-natural sidechains. J. Comput. Chem. 33 (18) (2012)
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
Fast docking using the CHARMM force field with EADock DSS. J. Comput. Chem. 32 (10) (2011)
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
SwissDock, a protein-small molecule docking web service based on EADock DSS. Nucleic Acids Res. 39 (Web-Server-Issue) (2011)
Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier, Olivier Michielin
SwissParam: A fast force field generation tool for small organic molecules. J. Comput. Chem. 32 (11) (2011)
Thierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, Olivier Michielin
Fourier transform convolution integrals applied to generalized Born molecular volume. J. Comput. Chem. 31 (3) (2010)
Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
Docking to heme proteins. J. Comput. Chem. 30 (14) (2009)
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
Blind docking of 260 protein-ligand complexes with EADock 2.0. J. Comput. Chem. 30 (13) (2009)
Vincent Zoete, Markus Meuwly
Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer. J. Comput. Chem. 27 (15) (2006)
Vincent Zoete, Olivier Michielin, Martin Karplus
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. J. Comput. Aided Mol. Des. 17 (12) (2003)