Announcements

Molegro Virtual Docker Boxshot

Molegro Virtual Docker - Software for drug discovery

  • Protein-Ligand docking.
  • Similarity screening (template docking).
  • Induced fit docking.
  • Create regression models using built-in data analyzer (neural nets and MLR).
  • Cavity prediction.
  • 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

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).

April 14th, 2008 - Molegro Molecular Viewer version 1.1.0 released. Download now (freeware).

April 11th, 2008 - Molegro Virtual Docker version 2.4.0 has been released. New options for scoring function customization, general UI improvements, and bug fixes. Download now (requires login).

February 4th, 2008 - Molegro has joined the BioIT Alliance. Read the Press Release.

January 14th, 2008 - Molegro Molecular Viewer version 1.0 has been released. A free cross-platform molecular viewer and Molegro Virtual Docker results browser. Download now.

News archive...