Enhance your designs using advanced approaches for protein-ligand analysis in this modern structure-based design platform

Download Flare Viewer for free

Flare provides fresh insights into structure-based design by integrating cutting edge approaches in an accessible and flexible user interface.

Gain vital knowledge of protein and ligand electrostatics to perfect new molecule design.

  • Get accurate values for relative binding affinity within a related set of ligands using Free Energy Perturbation (FEP)
  • Study the conformational changes of proteins and assess the stability of protein-ligand complexes using Molecular Dynamics experiments
  • Get immediate feedback on where ligands complement proteins and use this in design
  • Design new molecules and dock them to your protein target
  • Minimize protein-ligand complexes to achieve optimal interaction for each compound
  • Use the energetics of ligand binding to guide lead optimization
  • Calculate the location and stability of water molecules in your protein
  • Automate and customize workflows and add new menu entries through the Python API.

Calculate relative binding affinity within a congeneric ligand series using Free Energy Perturbation (FEP)

Given a parent ligand and protein, get accurate values for relative binding affinity within a related set of ligands.

Find out more

Flare Electrostatic complementarity map

Streamline new molecule design

Electrostatic ComplementarityTM scores and maps provide rapid activity prediction with visual feedback on new molecule designs. They are invaluable for understanding ligand binding, structure-activity relationships and for ranking new molecule designs.

find out more
Flare quick easy accurate docking

Quick, easy and accurate docking

Get detailed feedback on your new molecule designs, high enrichments in virtual screening and excellent pose prediction. Rapidly and easily dock to multiple protein conformations in a single experiment.

find out more
Flare 3D-RISM

Water analysis you can trust

3D-RISM analysis in Flare will help you understand which water molecules are tightly bound to the active site of the protein and which are energetically unfavorable. This can give valuable insights into structure-activity relationships and help you decide where to place ligand atoms.

find out more
Flare Python

Customize and automate your tasks

The Python API in Flare helps you work more efficiently. Create your own workflows, automate common tasks, expand Flare with Python modules and add custom controls.

find out more
Flare GUI


Flare makes advanced structure-based design techniques, such as Electrostatic Complementarity, multiparametric scoring and Python scripting, accessible through an intuitive GUI.

Licensing Flare

Try Flare on your project

See flexible licensing options