Announcements

Molegro Virtual Docker Boxshot

Molegro Virtual Docker - Software for drug discovery

  • Protein-Ligand docking with cavity prediction.
  • Similarity screening (template docking).
  • Induced fit and displaceable water models.
  • Molecular descriptors. Create regression models (neural nets and MLR).
  • Repair and mutate residues.
  • For Windows, Mac, and Linux.
    Try our free molecular viewer

More information...

Molegro Data Modeller - Modelling, mining, and visualization

  • Regression and Classification (MLR, PLS, KNN, Support Vector Machines, and Neural Networks.)
  • 2D Molecule Depiction (SDF and SMILES support).
  • Principal Component Analysis, Clustering, and Outlier Detection.
  • Feature selection and automated parameter tuning.
  • Histogram, 2D, and 3D plots. High-dimensional data visualization using Spring-Mass Maps.

More information...

 Molegro Virtual Docker Boxshot

Selected News

December 11th, 2009 - Molegro Virtual Docker version 4.0.0 has been released with new scoring functions, a new search algorithm, a new built-in raytracer, and Molegro Virtual Grid, an infrastructure for distributing docking runs. Download now (requires login) or read the press release.

May 7th, 2009 - Molegro Virtual Docker version 3.2.0 has been released. Many new improvements and features. Download now (requires login) or read the press release.

January 16th, 2009 - Molegro Data Modeller 2.0.0 released with molecule depiction, classification, and many other new features. Download now (requires login) or read the press release.

News archive...