AutoDock
AutoDock is an advanced suite of automated docking tools designed to accurately predict the binding interactions of small molecules, such as drug candidates, with receptors of known 3D structures. It features multiple docking engines, including the groundbreaking AutoDock-GPU, which offers accelerated performance and enhanced functionalities for protein-ligand interactions.
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Top AutoDock Features
- Automated docking tools suite
- Predicts small molecule binding
- 3D structure receptor compatibility
- Multiple docking engines developed
- Fast processing with AutoDock-GPU
- Instant grid calculation in Vina
- Visualizes atomic affinity grids
- User-friendly graphical interface
- Configurable rotatable bonds
- Supports drug candidate design
- Legacy version available online
- Open source accessibility
- Mailing list for support
- Detailed docking analysis tools
- Integration with synthetic chemistry
- Continuous software improvements
- Community-driven updates
- Enhanced computational efficiency
- Comprehensive docking protocols.
