Vincent Zoete

29 papers Journal 29
YearRankTypeTitle / Venue / Authors
2023 J jnl
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking.
J. Chem. Inf. Model.
Ute F. Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete
2023 J jnl
SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization.
J. Chem. Inf. Model.
Marine Bugnon, Mathilde Goullieux, Ute F. Röhrig, Marta A. S. Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
2023 J jnl
Two-Step Covalent Docking with Attracting Cavities.
J. Chem. Inf. Model.
Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig
2022 J jnl
SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface.
Nucleic Acids Res.
Alessandro Cuozzo, Antoine Daina, Marta A. S. Perez, Olivier Michielin, Vincent Zoete
2021 J jnl
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies.
Briefings Bioinform.
Vaishali P. Waman, Neeladri Sen, Mihaly Varadi, Antoine Daina, Shoshana J. Wodak, Vincent Zoete, Sameer Velankar, Christine A. Orengo
2019 J jnl
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites.
J. Chem. Inf. Model.
Krystel El Hage, Vincent Zoete
2019 J jnl
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules.
Nucleic Acids Res.
Antoine Daina, Olivier Michielin, Vincent Zoete
2017 J jnl
On-the-Fly QM/MM Docking with Attracting Cavities.
J. Chem. Inf. Model.
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
2016 J jnl
Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.
J. Comput. Chem.
Vincent Zoete, Thierry Schüpbach, Christophe Bovigny, Prasad Chaskar, Antoine Daina, Ute F. Röhrig, Olivier Michielin
2016 J jnl
SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening.
J. Chem. Inf. Model.
Vincent Zoete, Antoine Daina, Christophe Bovigny, Olivier Michielin
2015 J jnl
Protein homology reveals new targets for bioactive small molecules.
Bioinform.
David Gfeller, Vincent Zoete
2014 J jnl
Fifteen years SIB Swiss Institute of Bioinformatics: life science databases, tools and support.
Nucleic Acids Res.
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
2014 J jnl
SwissTargetPrediction: a web server for target prediction of bioactive small molecules.
Nucleic Acids Res.
David Gfeller, Aurélien Grosdidier, Matthias Wirth, Antoine Daina, Olivier Michielin, Vincent Zoete
2014 J jnl
Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function.
J. Chem. Inf. Model.
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
2014 J jnl
iLOGP: A Simple, Robust, and Efficient Description of
J. Chem. Inf. Model.
Antoine Daina, Olivier Michielin, Vincent Zoete
2013 J jnl
Protein pocket and ligand shape comparison and its application in virtual screening.
J. Comput. Aided Mol. Des.
Matthias Wirth, Andrea Volkamer, Vincent Zoete, Friedrich Rippmann, Olivier Michielin, Matthias Rarey, Wolfgang H. B. Sauer
2013 J jnl
Shaping the interaction landscape of bioactive molecules.
Bioinform.
David Gfeller, Olivier Michielin, Vincent Zoete
2013 J jnl
SwissBioisostere: a database of molecular replacements for ligand design.
Nucleic Acids Res.
Matthias Wirth, Vincent Zoete, Olivier Michielin, Wolfgang H. B. Sauer
2013 J jnl
SwissSidechain: a molecular and structural database of non-natural sidechains.
Nucleic Acids Res.
David Gfeller, Olivier Michielin, Vincent Zoete
2012 J jnl
Defining and searching for structural motifs using DeepView/Swiss-PdbViewer.
BMC Bioinform.
Maria U. Johansson, Vincent Zoete, Olivier Michielin, Nicolas Guex
2012 J jnl
Expanding molecular modeling and design tools to non-natural sidechains.
J. Comput. Chem.
David Gfeller, Olivier Michielin, Vincent Zoete
2011 J jnl
Fast docking using the CHARMM force field with EADock DSS.
J. Comput. Chem.
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
2011 J jnl
SwissDock, a protein-small molecule docking web service based on EADock DSS.
Nucleic Acids Res.
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
2011 J jnl
SwissParam: A fast force field generation tool for small organic molecules.
J. Comput. Chem.
Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier, Olivier Michielin
2010 J jnl
Fourier transform convolution integrals applied to generalized Born molecular volume.
J. Comput. Chem.
Thierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, Olivier Michielin
2009 J jnl
Blind docking of 260 protein-ligand complexes with EADock 2.0.
J. Comput. Chem.
Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
2009 J jnl
Docking to heme proteins.
J. Comput. Chem.
Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
2006 J jnl
Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer.
J. Comput. Chem.
Vincent Zoete, Markus Meuwly
2003 J jnl
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors.
J. Comput. Aided Mol. Des.
Vincent Zoete, Olivier Michielin, Martin Karplus