PlayMolecule - Platform for Computable Drug Discovery
PlayMolecule is our platform for computable drug discovery where algorithms, data and computers integrate to discover new knowledge.
-
Most popular related searches
Different Apps For Different Problems
Target Preparation And Inspection
- Prepare your protein structure by adding missing hydrogens, determining the right protonation states and optimizing hydrogen bond networks.
- Prepare small molecules for docking or MD.
- Predict and visualize binding sites using deep learning methods.
- View protein-ligand interaction patterns.
In-Silico Assays By Molecular Simulations
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.
Chemical Space Exploration
Generate novel small molecules using machine learning models. You can generate new molecules by providing:
Virtual Screening And Affinity Predictions
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.
Customer reviews
No reviews were found for PlayMolecule - Platform for Computable Drug Discovery. Be the first to review!