Molegro Virtual Docker is an integrated platform for predicting protein-ligand interactions. It is designed to manage the entire docking process from molecule preparation to determining potential binding sites of the target protein, and predicting the binding modes of the ligands. Molegro Virtual Docker offers a user-friendly experience with its novel optimization technique, providing high docking accuracy.
v5.5 [Nov 23, 2012]
- A new 'Energy Maps' tool provides volumetric visualization of protein force fields. This makes it possible to understand why a compound interacts with a given receptor, and may provide insights on how to improve the binding.
- A new execution mode in the Docking Wizard: 'Run Docking in Multiple Processes'. This makes it possible to run medium sized jobs on a local machine, while utilizing multiple CPU cores and even multiple GPU graphics cards. For large jobs on multiple machines, Molegro Virtual Grid should still be used.
- The ray-tracer has been improved to more closely match the live 3D view output. This makes it possible to create high resolution renderings of the 3D view.
- Minor user interface improvements and bug fixes.
