February 2021 newsletter

Streamline design for covalent inhibitors B43 in the 3GEN active site

Medicinal chemistry has renewed its interest in targeted covalent inhibitors. Explore how the covalent docking workflow within Flare™ can be used to aid design and prioritization of compounds, using the discovery of BTK inhibitor Evobrutinib as a case study.

Introduction to the docking feature in Spark™ Introduction to docking in Spark™

Our latest web clip demonstrates the new docking search method in Spark that allows you to find fragments picking ligand-protein interactions directly from the protein active site.

The case for outsourcing computational chemistry in drug discovery

Dr Martin Slater, Director of Consulting Services, explains why outsourcing computational chemistry could be the key to maximizing ROI in pharmaceutical research.

A collaborative approach to molecule design Collaborative approach to molecule design

Learn how Torx Design™ can be used to capture and share information around molecules, hypotheses and challenges within a discovery project. Using a central repository in this way connects all project stakeholders and promotes collaborative working.

Webinar • March 16th and 17th

Find new leads from peptides and natural ligands

In this webinar we will show how Flare™, Forge™ and Blaze™ can be used to analyze and develop an appropriate virtual screening strategy for complex target systems for which no simple small ligands exist, and how that can be worked into an effective virtual screen. Registration is open.

June 16th and 17th

Cresset User Group Meeting 2021

Cresset and customer presentations will be delivered online at 9am BST (10am CEST) and 5pm BST (12pm EDT, 9am PDT) each day. Each session will run for 3 hours. A detailed agenda will follow.

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