Flare™ provides new insights for structure-based design by integrating cutting edge approaches from Cresset with significant open source and commercial methods. Use Flare to:
- Gain vital knowledge of protein and ligand electrostatics to improve new molecule design
- Compare electrostatic patterns across a protein family to design more selective ligands
- Use the energetics of ligand binding to guide lead optimization
- Calculate the location and stability of water molecules in your protein
- Generate an optimal hydrophilic interaction pattern for your active site
- Design new molecules and dock them to your protein target
- Minimize your protein-ligand complex to achieve the optimal interaction for each compound.
Flare is an intuitive GUI available on Windows®, macOS® and Linux®.