Molegro - bioinformatics solutions

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.
  
  

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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.

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