Filtered by Tips and tricks, Flare™

Flare™ Python Cookbook

The Flare Python Cookbook includes ready-to-use Python recipes (‘snippets’) which perform a specific task. Use these simple, but fully functional, recipes as building blocks for creating more advance customized workflows.

Carrying out a conformation hunt and ligand alignment in Flare™

Learn how to align a set of ligands to an active reference molecule.

Qualitative SAR in Flare™: Activity Atlas™

Analyze qualitative SAR via informative 3D maps to rationalize activity changes.

Quantitative Structure Activity Relationships in Flare™: Field QSAR

Field QSAR models provide a global view of your SAR data. A robust model can be used to predict the activity for new molecule designs and aid the prioritization of ...

Installing Flare™ Python Extensions on Windows

The Flare Python API enables functionality to be extended with Python scripts. Watch the short video to learn how to install Flare Python Extensions on Windows.

Easy analysis of FEP results in Flare™

Visualizing protein-ligand interactions in Flare™

Designing new molecules in Flare

Performing a conformation hunt and alignment using Flare™

Flare V3 new science and improved results

Installing Flare™ Python extensions on Windows®

Flare features an API that enables its functionality to be extended with Python scripts. See how to install Python extensions for Flare on Windows.

Displaying Electrostatic Complementarity™ surfaces and calculating EC scores

See how you can use Flare™ to plot Electrostatic Complementarity (EC) maps for proteins and ligands, and calculate EC scores for protein ligand complexes.