Molegro Virtual Docker

– Protein-Ligand docking with cavity prediction
– Similarity screening using template-based docking
– Induced fit and displaceable water models
– Repair and mutate residues
– GPU-accelerated docking using CUDA
– Data analysis using Molegro Data Modeller

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Molegro Molecular Viewer

– Share and view results from Molegro Virtual Docker
– Imports and exports PDB, SDF, and Mol2 files
– Built-in raytracer for high-quality images
– Molecular surface and backbone visualization
– Labels, sequence viewer, and biomolecule generator
– Structural protein alignment

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Molegro KNIME Extensions

– KNIME workflow integration
– Access to all supported JDBC databases, e.g. Oracle, MS SQL Server, PostgreSQL & MySQL
– Many third-party industrial quality nodes available, e.g. nodes for 2D to 3D conversion
– Easy to re-use and distribute workflows in an organization
– KNIME workflow integration is available for free!

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