Vincent Zoete

According to our database, Vincent Zoete authored at least 29 papers between 2003 and 2023.

Collaborative distances:

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

2023

Two-Step Covalent Docking with Attracting Cavities.

Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., December, 2023

SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization.

Marine Bugnon, Mathilde Goullieux, Ute F. Röhrig, Marta A. S. Perez, Antoine Daina, Olivier Michielin, Vincent Zoete

J. Chem. Inf. Model., November, 2023

Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking.

Ute F. Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete

J. Chem. Inf. Model., June, 2023

2022

SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface.

Alessandro Cuozzo, Antoine Daina, Marta A. S. Perez, Olivier Michielin, Vincent Zoete

Nucleic Acids Res., 2022

2021

The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies.

Vaishali P. Waman, Neeladri Sen, Mihaly Varadi, Antoine Daina, Shoshana J. Wodak, Vincent Zoete, Sameer Velankar, Christine A. Orengo

Briefings Bioinform., 2021

2019

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules.

Antoine Daina, Olivier Michielin, Vincent Zoete

Nucleic Acids Res., 2019

Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites.

Krystel El Hage, Vincent Zoete

J. Chem. Inf. Model., 2019

2017

On-the-Fly QM/MM Docking with Attracting Cavities.

Prasad Chaskar, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., 2017

2016

SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening.

Vincent Zoete, Antoine Daina, Christophe Bovigny, Olivier Michielin

J. Chem. Inf. Model., 2016

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.

Vincent Zoete, Thierry Schüpbach, Christophe Bovigny, Prasad Chaskar, Antoine Daina, Ute F. Röhrig, Olivier Michielin

J. Comput. Chem., 2016

2015

Protein homology reveals new targets for bioactive small molecules.

David Gfeller, Vincent Zoete

Bioinform., 2015

2014

Fifteen years SIB Swiss Institute of Bioinformatics: life science databases, tools and support.

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

Nucleic Acids Res., 2014

SwissTargetPrediction: a web server for target prediction of bioactive small molecules.

David Gfeller, Aurélien Grosdidier, Matthias Wirth, Antoine Daina, Olivier Michielin, Vincent Zoete

Nucleic Acids Res., 2014

iLOGP: A Simple, Robust, and Efficient Description of <i>n</i>-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach.

Antoine Daina, Olivier Michielin, Vincent Zoete

J. Chem. Inf. Model., 2014

Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function.

Prasad Chaskar, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., 2014

2013

SwissBioisostere: a database of molecular replacements for ligand design.

Matthias Wirth, Vincent Zoete, Olivier Michielin, Wolfgang H. B. Sauer

Nucleic Acids Res., 2013

SwissSidechain: a molecular and structural database of non-natural sidechains.

David Gfeller, Olivier Michielin, Vincent Zoete

Nucleic Acids Res., 2013

Protein pocket and ligand shape comparison and its application in virtual screening.

Matthias Wirth, Andrea Volkamer, Vincent Zoete, Friedrich Rippmann, Olivier Michielin, Matthias Rarey, Wolfgang H. B. Sauer

J. Comput. Aided Mol. Des., 2013

Shaping the interaction landscape of bioactive molecules.

David Gfeller, Olivier Michielin, Vincent Zoete

Bioinform., 2013

2012

Expanding molecular modeling and design tools to non-natural sidechains.

David Gfeller, Olivier Michielin, Vincent Zoete

J. Comput. Chem., 2012

Defining and searching for structural motifs using DeepView/Swiss-PdbViewer.

Maria U. Johansson, Vincent Zoete, Olivier Michielin, Nicolas Guex

BMC Bioinform., 2012

2011

SwissDock, a protein-small molecule docking web service based on EADock DSS.

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

Nucleic Acids Res., 2011

SwissParam: A fast force field generation tool for small organic molecules.

Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier, Olivier Michielin

J. Comput. Chem., 2011

Fast docking using the CHARMM force field with EADock DSS.

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

J. Comput. Chem., 2011

2010

Fourier transform convolution integrals applied to generalized Born molecular volume.

Thierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, Olivier Michielin

J. Comput. Chem., 2010

2009

Docking to heme proteins.

Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

J. Comput. Chem., 2009

Blind docking of 260 protein-ligand complexes with EADock 2.0.

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

J. Comput. Chem., 2009

2006

Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer.

Vincent Zoete, Markus Meuwly

J. Comput. Chem., 2006

2003

Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors.

Vincent Zoete, Olivier Michielin, Martin Karplus

J. Comput. Aided Mol. Des., 2003