Flare™ V7

Access enhanced docking, better QSAR models and more accurate results for FEP and molecular dynamics in the new release of our single platform for ligand and structure-based drug design

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Grand Canonical Nonequilibrium Candidate Monte Carlo method applied to Molecular Dynamics simulation in Flare

Accelerating small molecule discovery

Discover novel small molecules more efficiently and effectively with Flare™, the comprehensive software platform for ligand-based and structure-based drug design. The platform enables medicinal and computational chemists to closely inspect the detail of their ligand-protein complexes, using a variety of methods to gain useful insights into their protein targets and ligand series. 

Through high-resolution 3D visualization and in-depth analysis of target structures and potential ligands, users become able to prioritize new molecules, through a full variety of ligand-based and structure-based methods, including: 

  • Electrostatic Complementarity™
  • SAR and QSAR analysis
  • Ligand alignment
  • Docking and scoring
  • Molecular Dynamics
  • Pocket analysis
  • Quantum Mechanics
  • Free Energy Perturbation (FEP)

Computational chemists within pharmaceuticals, biotechnology, academia, and more benefit from the platform to accelerate their drug discovery, with the greatest chances of success.

Try Flare on your project - request an evaluation

What's new in the latest Version 7 release?

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 recent Version 7 release, 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)

Try Flare on your project - request an evaluation

Availability of all Flare features may depend upon the level of license held. This can be discussed during the evaluation process. 

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Molecular structure graphic from CADD software platform, Flare