Accurate binding affinity predictions for smarter drug discovery
Flare Free Energy Perturbation (FEP) reliably calculates absolute and relative binding affinities for molecules in drug discovery, enabling researchers to focus only on the most promising compounds. Flare FEP reduces the need for extensive experimental validation, saving time and resources in the drug discovery process. By decreasing the need for wet lab experiments, Flare FEP offers a cost-effective approach to drug discovery.
Try Flare™ FEP for yourself
Accurately predict ligand binding affinity
Flare FEP seamlessly integrates with other Flare methods such as 3D pose generation, Water analysis, and Molecular Dynamics, offering a comprehensive approach to accurate binding affinity predictions. The intuitive interface of Flare FEP allows both novice and experienced users to easily navigate and utilize its advanced computational capabilities.
Prioritize compounds for synthesis focusing only on the most promising molecules
Reduce the amount of ‘wet’ chemistry across all stages of drug discovery
Increase the efficiency of designing new compounds for key therapeutic targets
Find drug candidates with enhanced potency at the target of interest
Effectively triage and prioritize the most promising candidates for further investigation, thanks to Flare FEP’s integration with other software solutions and modules such as Hit Expander and Spark™
