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

  • Multiple Linear Regression, Partial Least Squares, Support Vector Machines, and Neural Networks.
  • Principal Component Analysis, Clustering, and Outlier Detection.
  • Feature selection and automated parameter tuning of regression models.
  • Histogram, 2D, and 3D plots. High-dimensional data visualization using Spring-Mass Maps.

More information...

Molegro Virtual Docker Boxshot

Selected News

November 11th, 2008 - Molegro Molecular Viewer version 1.2.0 released with support for MVD 3.0 MVDML files. Download now (freeware).

September 25th, 2008 - Molegro Virtual Docker version 3.0.0 has been released. Displaceable water model, molecular descriptors, new protein preparation wizard, and more. Download now (requires login).

June 12th, 2008 - Molegro Data Modeller version 1.5.0 has been released with Regression Model Parameter Tuning and Spring-Mass Maps for visualizing high-dimensional data. Download now (requires login).

News archive...