Prioritize the best molecules to make in Flare™ V7
Discover novel small molecules more efficiently and effectively with Flare™, a comprehensive drug design software platform that integrates the power of ligand and structure-based methods. Through high-resolution 3D visualization, the platform enables medicinal and computational chemists to closely inspect the detail of heir ligand-protein complexes, and prioritize new molecules, through a full variety of methods, including:
- Electrostatic Complementarity™
- SAR and QSAR analysis
- Ligand alignment
- Docking and scoring
In response to ongoing customer feedback, and to provide users with access to the very latest molecular modeling methods, Flare receives regular improvements and updates.
As part of the most recent Version 7 updates, newly available functionality includes:
- The ability to run multiple experiments in parallel
- Ensemble covalent docking
- More accurate Free Energy Perturbation (FEP) and Molecular Dynamics results using Grand Canonical Nonequilibrium Candidate Monte Carlo for enhanced water sampling
- Expanded capabilities for building quantitative SAR models
- Enhanced Quantum Mechanics calculations
- A more appealing and simpler-to-use graphical user interface (GUI)
Chemists working within pharmaceuticals, biotechnology, academia, and more benefit from the platform to accelerate their drug discovery, with the greatest chances of success.
Find out more here