Title : Discovery of picomolar ABL kinase inhibitors equipotent for wild type and T315I mutant via structure-based de novo design.

Pub. Date : 2013 Jun 5

PMID : 23679864






1 Functional Relationships(s)
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1 The results of molecular dynamics simulations indicated that the dynamic stabilities of the hydrogen bonds between the inhibitors and Met318 should also be considered in designing the potent common inhibitors of the wild-type and T315I mutant of ABL. Hydrogen ABL proto-oncogene 1, non-receptor tyrosine kinase Homo sapiens