Cresset June 2022 newsletter

Jun 27, 2022

Posted by Cresset

Flare™ V6 released: New features and cutting-edge science

The Flare™ V6 release is packed with enhanced features and science plus new features including library enumeration, quantum mechanics (QM) and pocket detection and analysis. This comprehensive ligand-based and structure-based drug discovery platform offers dedicated licensing levels for computational chemists, medicinal chemists and academics.

Case study: Identifying promising inhibitors against epilepsy using virtual screening

Cresset Discovery supported Selene Therapeutics in the identification of central nervous system (CNS) penetrant inhibitor compounds against epilepsy using virtual screening. Cresset modelers proposed a final selection of hits, which will be progressed to wet-lab screening.

Presentations from Andy Vinter Memorial Meeting

Last week we gathered to celebrate the life and work of Andy Vinter, founder of Cresset. Thank you to all who contributed to the meeting both in the science presented and memories of his great sense of humor and irrepressible and joyous irreverence! Download PDFs of the presentations we have permission to publish.

June 26th – 29th • Meet us at 37th ACS National Medicinal Chemistry Symposium

Meet us at booth 19 at the NMCS meeting in New York and see our posters: Summarizing and Understanding the SAR for Large Sets of Compounds (P63 June 26th) and Tackling ADMET Issues: Rapid R-Group Exploration by Bioisosteric Replacement (P06 June 27th). See all upcoming events.

June 29th • Webinar: Find new leads from peptides and natural ligands

Learn how to analyze and develop an appropriate virtual screening strategy for complex target systems for which no simple small ligands exist, and how to work this into an effective virtual screen. See how this can be performed by either accessing our advanced ligand-based virtual screening platform, Blaze™, directly, or through our comprehensive structure and ligand-based modeling platform, FlareRegister to secure your place.

July 14th • Webinar: Pushing the boundaries of science and usability: New features in Flare V6

Learn about significant new features in Flare V6, including: identify potential target sites in a protein, enumerate a chemical library for that target, dock designs created, use new torsion analysis tool to understand the likelihood that the results adopt the suggested ligand conformation, and export images of the pose in 3D together with a 2D-depition of the protein-ligand interactions. Register to secure your place.


Apply Cresset software solutions to your project

Customers tell us that our ligand-based and structure-based molecule design solutions are the most intuitive solutions they have used, but we’re still here to support you through the evaluation process.

Apply Cresset discovery solutions to your project

Request a free confidential discussion to find out how our expert molecular modeling scientists can help you gain a fresh perspective, remove obstacles, or simply save time and money on your discovery project.

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