Accelerate Your Small Molecule Drug Discovery Projects by Using Flare™ To Prioritize the Best Molecules To Make
Flare™ is Cresset’s comprehensive platform for ligand-based and structure-based drug design. Through high-resolution 3D visualization and in-depth analysis of target structures and potential ligands, users become able to prioritize new molecules to make through a full variety of computational chemistry methods, such as:
- Ligand and protein electrostatics
- SAR and QSAR analysis
- Docking and scoring
- Molecular dynamics
- Pocket analysis
- Free Energy Perturbation (FEP)
In this Teach Me in 10, Cresset’s Head of Products, Giovanna Tedesco will discuss the benefits of using Flare to accelerate drug discovery projects, for the greatest chances of success. Aligned to the latest version 7 updates, she’ll also take a deeper dive into some of the newly added features, including:
- Ensemble covalent docking
- Enhanced capabilities for building quantitative SAR models
- More accurate results for FEP and Molecular Dynamics based on methods such as Grand Canonical Monte Carlo
- Graphical user interface (GUI) and usability enhancements
Further Resources:
