Computable Drug Discovery
Developing the algorithms to automate drug discovery.
- 16 years of experience in computational drug discovery
- Pioneered GPU acceleration for molecular simulations
- Pioneered deep learning for molecular structures
- Strong record of scientific publications in top-tier journals
- Nominated top 30 AI Drug Discovery company in the world
Finding new binding poses for Pfizer with Molecular Dynamics
Partners
We have collaborated with:
- Biogen and Janssen on lead optimization.
- Novartis, predicting off-target effects.
- Pfizer, identifying a binding mode that explained their SAR.
- UCB, simulating a GPCR from inactive state to active state.
Recent Posts
We have recently added a new application to PlayMolecule: AceProfiler. This tool allows you to easily navigate the Protein Data […]
During 14-16 July 2022, Acellera and Universitat Pompeu Fabra are co-organizing the MMSML Workshop, a three-day get together of discussions, […]
We just stumbled upon this nice article from Alicja Gawalska et al. [1], where they report a suitable binding site […]
CrypticScout is one of the most popular applications of PlayMolecule, Acellera’s drug discovery platform. This mixed solvent MD application allows […]
This new collaboration between C4X Discovery (“C4XD”) and Acellera aims to elucidate the binding mode of a library of new […]