Software
Flare™
A single platform for ligand-based and structure-based drug design that enables research chemists to discover novel small molecules more efficiently and effectively
Ligand-based design in Flare
Design and prioritize new ligands for your target, with or without protein crystal structure information in an accessible and flexible interface
Powered by Cresset’s patented ligand comparison method to align and score molecules based on electrostatic and shape properties, medicinal and computational chemists use Flare LigandPro to create 3D binding hypotheses, and build qualitative and quantitative 3D models of activity, for key insights on how compounds interact with protein targets using activity cliff analysis.
Structure-based design in Flare
Use cutting-edge approaches for ligand-based and structure-based analysis to advance your drug discovery project
Flare StructurePro combines the best of Cresset’s internal research with open-source and proprietary methods, including a modern Python API. Computational chemists will get new insights into protein-ligand binding, enabling them to prioritize of new ligand designs, as well as the ability to make less compounds by predicting activities of new molecules using Flare FEP, before they are synthesized.
Sneak peek at Flare V6 for computational chemists and power users
Ligand-based components of Flare
Structure-based components of Flare
Testimonials from Flare users
Medicinal chemists in my team find the covalent docking feature in Flare™ very intuitive to use.
Matthias Bauer, AstraZeneca, UK
Flare is predicting my known ligand's co-crystallized pose more accurately than any other program I have used. I can perform focused docking, blind docking, visualization, and saving images all in one place. Many thanks to Cresset for creating such a beautiful program.
University of Cambridge, UK
Flare gives us an excellent assessment of the potential binding of hits. We use it to triage hits from Blaze and Forge experiments in the absence of 3D-QSAR, narrowing them down to an affordable subset of the most promising hits. Flare gives us the luxury of choosing the best hits from a far larger pool than we could purchase directly.
Dr Graeme Stevenson, Cancer Therapeutics CRC, Australia
The protein interaction potential capability [in Flare] highlighted common features across the family of targets of interest that we had not been able to visualize before. We used this information to drive ligand design into a direction we have not explored before.
Dr Martin Quibell, MAQU Chemistry Consulting, UK
Flare has been really helpful in the docking studies I have been working on. I applaud the simplicity of the Flare GUI, which makes the whole process seamless.
Chiemela Odoemelam, De Montfort University, UK
When dealing with systems where SAR is flat and thin, Flare could pick out and identify most of the very weak hits we have, including a novel hit that is still under examination.
Dr Graeme Stevenson, Cancer Therapeutics CRC, Australia
Flare has made some nice fragment predictions which we had previously identified, further increasing our confidence in Flare.
Dr Graeme Stevenson, Cancer Therapeutics CRC, Australia
Thanks for the Flare for Academics license, which I’ll use for my post-doctoral studies. I like how smooth the Flare interface is; it seems much easier to use than other computational software I have seen.
School of Chemistry, University of East Anglia, UK