Filtered by Tips and tricks

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.

Using Blaze™ to run field-based virtual screens in Flare™

Learn how to run a Blaze 3D virtual screening experiment from the Flare GUI, to probe databases of millions of molecules and identify compounds with similar field point patterns.

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™

Manually adding a field point in Spark™

Creating your own database for use with Spark™: Molecule Fragmentation

Creating your own database for use with Spark™: Reagent Importer

Introduction to the docking feature in Spark™

Visualizing protein-ligand interactions in Flare™