Flare V8: What's new in Cresset’s molecular modeling software?

Date

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 

Stuart Firth-Clark

Stuart Firth-Clark obtained his PhD in Chemistry from the University of Bath where he investigated the use of computational methodologies to study chemical reactivity.  He then spent 20 years working for small biotech contract research organizations where he was responsible for developing and implementing their computational chemistry services to prospective and existing customers. Stuart is now a Principle Application Scientist at Cresset. His responsibilities include training and supporting Cresset customers so that they can achieve their scientific goals using Cresset’s ligand-based and structure-based software solutions.

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