Sneak peek at Flare V3: New science and improved results
As we move closer to the release of Flare™ V3, let’s have a quick look at some interesting new functionality ...
Dr Marcin Krol, Selvita, presented ‘Field based analysis of kinome ligand space’ at the Cresset European User Group Meeting 2015. He demonstrated how a Cresset field based analysis of kinome ligand space let them identify the chemical features responsible for the activity profile of kinase inhibitors.
Consensus field points across a cluster explained the observed structural features of kinase-inhibitor interactions. The field alignment of compounds could be successfully used to identify the chemical features for a particular activity profile.