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

iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach. - Antoine Daina; Olivier Michielin; Vincent Zoete (J. Chem. Inf. Model., 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)

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)

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)

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)

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)

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)

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., 2023)