Date: Thursday 22nd February 2024
Time: 3pm GMT / 4pm CET / 10am EDT / 7am PST
Duration: 45 minutes
Format: Webinar
Please note that this webinar will be replayed on Friday 23rd February for the APAC region (3:30pm IST). Register here.
Abstract
Flare V8 is available now! Join us in this webinar for an overview of the exciting new science and features in this release.
New and enhanced structure-based methods include MM/GBSA single-point calculations to rapidly prioritize the best molecules; significantly expanded applicability of Flare FEP, now supporting projects including ligands with different net charge; new and enhanced visual analysis tools for troubleshooting and understanding the results of Flare FEP and Molecular Dynamics experiments; new and enhanced features for protein and homology modeling.
Enhanced ligand-based functionality includes the calculation and display of HOMO/LUMO orbitals for QM calculations, a significant expansion of the collection of ready-to-use reactions available for library enumeration, and more comprehensive ligand preparation.
About the presenter
Giovanna Tedesco
Giovanna Tedesco joined Glaxo in 1990. As senior computational chemist she supported a variety of drug discovery programs in the antibacterials and CNS areas, and led target-to-lead CNS programs. When Aptuit took over the GSK site in Verona, Giovanna moved to client services where she worked as a senior proposal driver.
Giovanna joined Cresset in December 2014. As Head of Products she has responsibility for delivering Cresset’s desktop applications for computational and medicinal chemists.
Register here - https://www.cresset-group.com/about/events/whats-new-flare-v8/
