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Putative binding of Abemaciclib on CDK1 in 3D and 2D structures. (A,B) show a slightly better putative binding of Abemaciclib on CDK1 [ΔG = −8.9 kcal/mol] but has a longer binding distance (LYS33:3.23 Å) stabilized by a H bond in green color compared to Dapagliflozin.
