PASS

AKos
Consulting & Solutions GmbH
a chemoinformatics company

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.