March 2021 newsletter
Case study: Investigating the SAR of RIPK1 inhibitors Understanding SAR is fundamental in many aspects of drug discovery, from exploring ...
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.
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.
Dr Martin Slater, Director of Consulting Services, explains why outsourcing computational chemistry could be the key to maximizing ROI in pharmaceutical research.
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.
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.
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.