Molegro Virtual Docker is an integrated platform for predicting protein - ligand interactions. It handles all aspects of the process, from preparing the molecules to determining the potential binding site of the target protein, and predicting the binding mode of the ligand. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity. Molegro Virtual Docker at a Glance High docking accuracy: the docking Easy-to-use interface: the built-in engine has been proven to correctly wizards enable the user to easily setup identify binding modes with high and perform docking runs. Advanced accuracy (see next page). visualization and analysis tools are provided to examine ligand-receptor Versatile features including induced fit interactions and fine-tune found docking (sidechain flexibility), ligand- docking solutions. based screening based on structural similarity, flexible alignment of small Cross-platform: supported on Linux, molecules, and regression model Windows, and Mac, allowing easy building using neural nets or MLR. interoperability between platforms.