The High-throughput Drug Discovery Platform
PlayMolecule is a virtual environment for drug discovery where simulations, AI and data are integrated to discover new opportunities.
Protein, Membrane and Small Molecule Preparation
Target Profiling and Druggability Assessment
Virtual Screening and Binding Mode Validation
De-novo and Decorative Library Design (coming soon)
Relative Binding Affinity Predictions (coming soon)
Easy-to-use system preparation for accurate simulations
Prepare your protein structure by adding missing hydrogens, determining the right protonation states and optimizing hydrogen bond networks.
Prepare you membrane-containing system for accurate receptor or diffusion simulations.
Study the conformational landscape of proteins and ligands using in molecular simulation methods.
There are several ways to interact with PlayMolecule.
A powerful viewer to interact and visualize all data types generated by PlayMolecule's applications. Available as a local installation or as a web-app.
Execute each application from the command line.
Restful interface (PMWS) for managing all application components and running them in parallel on your cluster. Access and execute all applications programmatically using a powerful Python API.
PlayMolecule can be integrated into your own discovery platform. Acellera can provide support int integrating all our technology into your proprietary system.