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The Inhibitors of CDK4/6 from a Library of Marine Compound Database: A Pharmacophore, ADMET, Molecular Docking and Molecular Dynamics Study.

Lian-Xiang LuoQu WangYinglin Liao
Published in: Marine drugs (2022)
was proposed as a promising marine inhibitor of CDK4/6.
Keyphrases
  • molecular docking
  • molecular dynamics
  • molecular dynamics simulations
  • cell cycle
  • density functional theory