From: chemistry-request at
To: chemistry-request at
Date: Thu Sep 28 11:59:15 2023
Subject: 23.10.26 Effective visualization and analysis of drug discovery targets, Cresset Webinar
Register here -

Flare is Cresset's comprehensive software platform for ligand-based and 
structure-based drug design. It enables computational and medicinal chemists 
to refine a wide portfolio of ideas, through developing a comprehensive 
understanding of their binding and molecular interactions. The ligand-based 
components of Flare are widely used in a full range of scenarios, and can be 
used exclusively, when there is limited information available in relation to 
the protein target.

In this webinar, you will learn how Flare can help you to:
 - Analyse a data set when the bioactive conformation is unknown, using 
R-group analysis of 2D structures.
 - Align ligands based on both shape and electrostatics using 3D ligand 
alignment to a reference ligand.
 - Clearly visualize and compare a ligand series using Cresset's unique 
electrostatic field points.
 - Clearly visualize areas of electrostatic match and mismatch between 
protein and ligand using the Electrostatic Complementary component of 
 - Easily find and understand activity and selectivity cliffs in your SAR 
using the Activity Miner component of Flare, a medicinal chemist-friendly 
ligand-based qualitative structure-activity relationship analysis and 
visualization tool.

Register here -
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