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Up Directory CCL 22.03.01 Cresset webinar - Designs beyond similarity: Using the active site to generate new designs
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To: chemistry-request at
Date: Mon Jan 31 05:05:46 2022
Subject: 22.03.01 Cresset webinar - Designs beyond similarity: Using the active site to generate new designs
Date and duration
Date: March 1st 2022
Time: 2pm GMT / 9am EST
Duration: 45 minutes
Format: Webinar

We will demonstrate how the docking method in Sparkâ„¢ 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 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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