Molegro Virtual Docker is an integrated platform for predicting protein – ligand interactions. Molegro Virtual Docker handles all aspects of the 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.

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%).

Molegro Virtual Docker provides

  • High docking accuracy: the docking engine has been proven to correctly identify binding modes with high accuracy. Molegro Virtual Docker has been shown to outperform other docking programs with regard to identification of correct binding modes (see the MVD references page for more information).
  • Easy-to-use interface: the built-in wizards enable the user to easily setup and perform docking runs. Advanced visualization and analysis tools are provided to examine ligand-receptor interactions and fine-tune found docking solutions.

Product flyer thumbnail Download a product flyer (PDF document) for Molegro Virtual Docker.
Journal thumbnail MolDock: A New Technique for High-Accuracy Molecular Docking
Journal paper (Journal of Medicinal Chemistry) describing the docking engine of Molegro Virtual Docker.
MVD Manual thumbnail The user manual (239 pages, PDF) for Molegro Virtual Docker.
MVD Tutorials Flash video tutorials for Molegro Virtual Docker.