June 2022 newsletter
Comp chem news including Flare V6 release and case study on identifying promising inhibitors against epilepsy using virtual screening
News
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.
Sneak peek at Flare™ V6 for medicinal chemists This sneak peek gives insight to just a few of the new features ...
The new QSAR framework in Flare makes generating and using 3D-QSAR descriptors to build models with good predictivity and generalizability ...
This sneak peek explores some of the new features in the upcoming release of Flare™, our ligand- based and structure-based ...
This sneak peek gives insight to just a few of the new features that will be accessible in the upcoming ...
Globachem renews contract with Cresset Discovery Cambridge, UK - 08 February 2022 - Cresset Discovery, provider of contract consulting for early ...
Introduction The role of water in drug discovery should never be ignored. Its importance in ligand binding is well accepted ...
Water molecules play a very important role in biochemical processes beyond acting as mere solvents. The presence and stability of ...
Robust QSAR models enable computational and medicinal chemists to accurately predict the biological activity and ADMET properties of new compounds. ...