Events
An introduction to rational structure-based design methods using Flare™
Date
Date: July 28th 2022
Time: 2:30pm IST / 10am BST / 11am CEST
Duration: 45 minutes
Format: Webinar
Abstract
Computational methods offer an effective way to discover, design and optimize new molecules, saving time, money, and resources. In this session, we will introduce Cresset science and technology and give an overview in Flare™, Cresset's comprehensive platform for ligand and structure-based design. We will demonstrate how Flare can help in new molecule design. You will learn how to:
- Explore protein-ligand interactions
- Modify or design a ligand in the context of the protein active site
- Perform docking to predict the binding mode of a ligand
- Compute Electrostatic Complementarity™ maps and scores for a ligand based on its associated protein
About the presenter
Nathan Kidley, Principal 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 Principal 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.