Molegro Virtual Docker 3.2.1

Handles all aspects of the molecular docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity.
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/molecules, 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