Understanding the role of water in protein-ligand complexes and when to consider water in drug discovery 
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™
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.
Recent papers citing Cresset applications
- Exploring disordered loops in DprE1 provides a functional site to combat drug-resistance in Mycobacterium strains, Jiyuan Liu, et. al., European Journal of Medicinal Chemistry, 2022
- Structure-activity relationship around PI-2620 highlights the importance of the nitrogen atom position in the tricyclic core, Heiko Kroth, et. al., Bioorganic & Medicinal Chemistry, 2021
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.
Save the date • June 16th
Andy Vinter Memorial Meeting
