Developer website: Molegro
Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity.
The Molegro Virtual Docker (MVD) has been shown to yield higher docking accuracy than other state-of-the-art docking products (MVD: 87%, Glide: 82%, Surflex: 75%, FlexX: 58%).
Highlights of Molegro Virtual Docker:
- Automated preparation of molecular structures
- Active site prediction
- Similarity Docking for flexible ligand alignment and focused template docking
- Data Analyzer for creating regression models (using neural networks or MLR), visualizing data, and performing feature selection
- Docking with sidechain flexibility (taking induced fit interactions into account)
- Sidechain Minimization Tool for optimizing receptor conformations before docking
- Many more features