News
Clustering newly generated scaffolds in Spark allows you to group compounds based on chemotype. zcu.io/NLJI #drugdesign #drugdiscovery #pharma #medchem #medicinalchemistry #compchem #computationalchemistry #CADD #digitalchemistry pic.twitter.com/7jS4gpkD5H
Clustering newly generated scaffolds in Spark allows you to group compounds based on chemotype
Comp chem news including New Flare™ Python Cookbook and KNIME nodes 2.7 released
The Flare Python Cookbook provides a fast-track and user-friendly path for novice and non-expert Python users to familiarize themselves with ...
One of the many new features in Flare™ V6 is Torsion Analysis, which enables visual identification of problematic torsions on ...
A new release of workflow components for the KNIME™ environment is now available for Flare™ and Spark™.
Understanding water stability in binding sites is crucial for successful structure-based drug design. Flare™ V6 brings enhanced GIST calculations that ...
Comp chem news including Flare V6 release and case study on identifying promising inhibitors against epilepsy using virtual screening
Cambridge, UK – 21 June 2022 – Cresset, innovative provider of outstanding software for molecule discovery and design, announces the ...
The Flare™ V6 release is packed with enhanced features and science plus new features including library enumeration, quantum mechanics (QM) ...
A roundup of computational chemistry news from Cresset in May.
Modern drug discovery needs to be fast. Not long ago, pharmaceutical organizations prioritized cost efficiency above all else, with an ...
Sneak peek at Flare™ V6 for medicinal chemists This sneak peek gives insight to just a few of the new features ...