AKos
Consulting & Solutions GmbH
a chemoinformatics company

 

 

AKos
Consulting & Solutions GmbH
a chemoinformatics company

 

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detailed view molegro

 

Molegro Virtual Docker can dock one structure per sec, using GPU acceleration

  •   GPU-accelerated docking using CUDA.
  •   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.