SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina
SIB Swiss Institute of Bioinformatics · University Hospital of Geneva · +2 more institutions
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 Here, we present the latest version of SwissDock, in which EADock DSS has been replaced by two state-of-the-art docking programs, i.e. Attracting Cavities and AutoDock Vina.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…
Citation impact
- FWCI
- 149.35
- Percentile
- 100%
- References
- 48
Authors
7Topics & keywords
- AutoDock
- Docking (animal)
- Protein Data Bank (RCSB PDB)
- Computer science
- Computational biology
- Drug discovery
- Small molecule
- In silico