Pushing the boundaries of science and usability: New features in Flare™ V6
Date: July 14th 2022
Time: 2pm BST / 3pm CEST / 9am EDT
Duration: 45 minutes
I will demonstrate a selection of the significant new features and enhancements available in Flare V6. In this session, you will learn how to:
- Identify potential target sites in a protein
- Enumerate a chemical library for that target
- Dock the designs created
- Use the new torsion analysis tool to understand the likelihood that the results adopt the suggested ligand conformation
- Export images of the pose in 3D together with a 2D-depition of the protein-ligand interactions
About the presenter
Nathan Kidley, Senior Application Scientist
Nathan completed his PhD in Computational Chemistry at the University of Exeter, UK. He then joined Syngenta at Jealott’s Hill where, for 14 years, his work primarily focused on lead finding optimization projects for small molecule active ingredient research. Nathan’s experience spans writing chemical standardization rules to using molecular dynamics to drive conformational changes. As a Senior Application Scientist at Cresset Nathan’s responsibilities include training and supporting customers, enabling them to achieve their scientific goals through the use of Cresset’s ligand-based and structure-based software solutions.
Registration for this event is now closed.