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Field based analysis of kinome ligand space

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.

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