Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging
G. V. Andrianov, W. J. G. Ong, I. Serebriiskii, J. Karanicolas
This paper introduces a computational method to efficiently search kinase inhibitor chemical space by merging fragments to prioritize analogs with improved potency.
bioRxiv · Jun 1, 2021Biochemistry