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Flare™

CressetAvailable: Worldwide

Flare™ is a ligand-based and structure-based drug design platform. Through high-resolution 3D visualization and in-depth analysis of target structures and potential ligands, Flare enables users to optimize and prioritize new molecules efficiently and effectively.

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Description

Flare™ is a ligand-based and structure-based drug design platform. Through high-resolution 3D visualization and in-depth analysis of target structures and potential ligands, Flare enables users to optimize and prioritize new molecules efficiently and effectively with methods including:

  • Free Energy Perturbation (FEP)
  • Electrostatic Complementarity™
  • MM/GBSA
  • Docking and scoring
  • Water analysis (GIST and 3D-RISM)

With our latest advances in AI technology, we can automate complex tasks, streamline workflows and enhance efficiency. Flare chatbots automate code writing, enabling creation of custom extensions, while user-friendly interfaces enable access to advanced computational methods.

Revolutionize your computational chemistry workflow

Flare™, powered by Cresset’s unique XED (eXtended Electron Distribution) force field is a single platform for ligand and structure-based design, enabling users to efficiently identify the best molecules through high-resolution 3D visualization of target structures and potential ligands. Flare users, typically computational and medicinal chemists, value the platform as their ‘computational toolbox’.

Watch this sneak peek video showing some of the cutting-edge features of the upcoming V9 release including full integration of Spark™, Cresset’s bioisostere replacement solution for generating novel ideas to escape IP and toxicity traps. This synergistic integration enables increased productivity and optimized workflows, allowing prioritization of only the best molecules to progress for lab experiments, while minimizing time and resources.

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