Molegro Virtual Docker

4.3 21 Feb 2011

Integrated platform for drug discovery using molecular docking.

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Developer website: Molegro

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%).

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

What's New

Version 4.3: Release notes were unavailable when this listing was updated.

Requirements

Mac OS X 10.5 or later

Ratings

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Current Version (4.x)
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Details

Downloads
2,220
Version Downloads
829
Type
Education / Teaching Tools
License
Demo
Date
21 Feb 2011
Platform
OS X / PPC 32 / Intel 32
Price
Free