PlayMolecule - Platform for Computable Drug Discovery
PlayMolecule is our platform for computable drug discovery where algorithms, data and computers integrate to discover new knowledge.
Target Preparation And Inspection
Study the conformational landscape of proteins and ligands using in silico methods.
- Build proteins and protein-ligand systems for simulation.
- Parameterize small molecules using quantum mechanics.
- Run and analyze molecular simulations.
- Determine fragment binding to pockets and cryptic pockets using a library of over 150 moieties.
- Perform in-silico binding and conformational assays to fully characterize protein and protein-ligand binding using accurate physical method.
Award-winning docking and binding affinity algorithms.
- Dock small molecules into protein pockets using different protocols: template docking, pharmacophoric restraints or free docking.
- Re-score your docked compounds using pharmacophore overlap or machine learning algorithms.
- Train your own model with your in-house data to then rescore your library of compounds.