Identification of Abemaciclib Derivatives Targeting Cyclin-Dependent Kinase 4 and 6 Using Molecular Dynamics, Binding Free Energy Calculation, Synthesis, and Pharmacological Evaluation.
FRONTIERS IN PHARMACOLOGY（2023）
关键词
abemaciclib,cyclin-dependent kinase 4,cyclin-dependent kinase 6,inhibitor,molecular dynamics simulation,binding free energy
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