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Journal Articles
- 2023
[j9]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): 6469-6475 (2023)- 2022
- [j8]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): 1382-1390 (2022) - 2021
- [j7]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): 742-768 (2021) - 2019
- [j6]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): W357-W364 (2019) - 2016
- [j5]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): 437-447 (2016) - [j4]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): 1399-1404 (2016) - 2014
- [j3]Antoine Daina, Olivier Michielin, Vincent Zoete:
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach. J. Chem. Inf. Model. 54(12): 3284-3301 (2014) - [j2]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): 32-38 (2014) - 2012
- [j1]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): 1319-1327 (2012)
Coauthor Index
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