Antoine Daina

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 6

Top Topics

Systems Biology

Essential Proteins

Energy Landscape

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

Briefings Bioinform.

J. Comput. Chem.

Publications

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)
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)
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)
Alessandra Nurisso, Juan Bravo, Pierre-Alain Carrupt, Antoine Daina
Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance. J. Chem. Inf. Model. 52 (5) (2012)