Cresset January 2022 newsletter

Jan 27, 2022

Posted by Cresset

Understanding the role of water in protein-ligand complexes and when to consider water in drug discovery  3D-RISM analysis of hPNMT complex

The role of water in drug discovery should never be ignored, as it plays an important part in ligand binding and in mediating protein-drug interactions. However, understanding the role of water is complex and requires careful consideration. Sylvie Sciammetta explains how Cresset Discovery‘s large team of expert research scientists have the skill and experience to run detailed analyses to advance your projects efficiently and cost-effectively

Qualitative SAR in Flare™: Activity Atlas™Qualitative SAR in Flare

Learn how to analyze qualitative Structure Activity Relationships via informative 3D maps using Flare, enabling you to rationalize activity changes in this web clip.


Webinar • March 1st

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

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. 

Registration is open.


Recent papers citing Cresset applications

Webinar • March 3rd

Coordinate chemistry and compound testing in small molecule discovery

In this webinar, discover how to track the progress of synthesis targets across all in-house and CRO projects using a visual tracking board. Learn how to set up automatic assay requests for newly synthesized compounds, view the real-time testing status and know when to expect your results. See how to customize tests for specific compounds and manually request follow-up tests.

Registration is open.

Save the date • June 16th

Andy Vinter Memorial Meeting

Andy Vinter Memorial Meeting


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