Events

Designs beyond similarity: Using the active site to generate new designs for your project

Date and duration

Date: May 5th 2022

Time: 9am PDT / 12pm EDT / 5pm BST

Duration: 45 minutes

Format: Webinar

Abstract

We will demonstrate how the docking method in Spark™ can be used to find fragments which target interactions in the active site.

You will learn how Spark is used to add R-groups to an existing ligand in a structure-based design workflow. This enables you to explore the SAR beyond ligand similarity to generate new designs for your project.

About the presenter

Nathan Kidley, Senior Application Scientist

Nathan KidleyNathan 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.

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