ArticleNucleic acids research2024
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina.
Article in Nucleic acids research, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 249 papers.
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249 citing papers in PubMed.
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- Small-Molecule Activators of PRMT1: Discovery, SAR Analyses, and Proapoptotic Effects in Pancreatic Cancer Cells.Journal of medicinal chemistry · 2026Article
- Trichomonas vaginalis cathepsin D-like aspartic proteinase (Tv-CatD) is regulated by iron at different levels.Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine · 2026Article
- 3-Hydroxydehydroleucodin ameliorates neuroinflammation and ischemic brain injury by blocking the TRIM21-PRDX1 interaction.Acta pharmacologica Sinica · 2026Article
- Garambullo (Myrtillocactus geometrizans) reduces cell viability via apoptosis and inhibits colony formation in HT-29 and SW480 colon cancer cell lines.Journal of food and drug analysis · 2026Article
- Integrative AI-assisted modeling suggests CPPF binding at a composite α/β-tubulin interface pocket dominated by β-tubulin contacts.PLoS computational biology · 2026Article
- Calcitriol and candesartan mitigate monosodium glutamate-exacerbated metabolic syndrome and MASLD/MASH in rats: modulation of GLuR5/Ketohexokinase/FoxO1 axis.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Targeting the Wnt/β-catenin pathway: veratramine mitigates MNNG-induced gastric precancerous lesions.Molecular and cellular biochemistry · 2026Article
- In silico genome mining and characterization of putative horse feces-derived bacterial phytases as potential monogastric animal feed additive candidates.Journal, genetic engineering & biotechnology · 2026Article
189 more citing papers are in PubMed but not listed here.
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Authors and funding
7 authors.
Funding
Abstract
Drug discovery aims to identify potential therapeutic compounds capable of modulating the activity of specific biological targets. Molecular docking can efficiently support this process by predicting binding interactions between small molecules and macromolecular targets and potentially accelerating screening campaigns. SwissDock is a computational tool released in 2011 as part of the SwissDrugDesign project, providing a free web-based service for small-molecule docking after automatized preparation of ligands and targets. Here, we present the latest version of SwissDock, in which EADock DSS has been replaced by two state-of-the-art docking programs, i.e. Attracting Cavities and AutoDock Vina. AutoDock Vina provides faster docking predictions, while Attracting Cavities offers more accurate results. Ligands can be imported in various ways, including as files, SMILES notation or molecular sketches. Targets can be imported as PDB files or identified by their PDB ID. In addition, advanced search options are available both for ligands and targets, giving users automatized access to widely-used databases. The web interface has been completely redesigned for interactive submission and analysis of docking results. Moreover, we developed a user-friendly command-line access which, in addition to all options of the web site, also enables covalent ligand docking with Attracting Cavities. The new version of SwissDock is freely available at https://www.swissdock.ch/.
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