April 2021 newsletter
Building a blood-brain barrier penetration model in Flare™ We show how the enhanced QSAR modeling capabilities in Flare V5 (due for ...
Version V2.6 of Cresset workflow components for the KNIME™ and Pipeline Pilot™ environments are now available for all desktop solutions. Spark™ components have been significantly enhanced with the inclusion of the new ‘docking’ feature. This enables Spark to find fragments which pick ligand-protein interactions directly from the protein active site. New example protocols are also available to illustrate the new functionality.
Computational methods play an integral role in drug discovery. In the coming months we'll explore how you can benefit from Cresset's integrated offering, encompassing both software tools and drug discovery expertise, to design and optimize the molecules most likely to succeed in your pipeline.
A virtual business model allows early-stage drug discovery companies to accelerate proof-of-concept for a new compound. Integrating Torx™ into your VPC workflow promotes effective communication with all partners, so that your operations can run more efficiently.
This webinar will focus on using Flare™ and Lead Finder™ to generate high-quality poses of covalent compounds, analyze the results to design new compounds and help prioritize synthetic effort. Registration is open.
Presentations will be delivered online at 9am BST (10am CEST) and 5pm BST (12pm EDT, 9am PDT). Each session will run for 3 hours. A detailed agenda will follow.