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Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers.

Ibrahim H. EissaReda G. YousefHazem ElkadyEslam B. ElkaeedAisha A. AlsfoukDalal Z. HuseinIbrahim M. IbrahimMostafa. A. ElhendawyMurrell GodfreyAhmed M. Metwaly
Published in: Comput. Biol. Chem. (2023)
Keyphrases
  • centered design
  • design process
  • simulation environment
  • design space exploration
  • feature selection
  • higher order
  • model selection
  • empirical studies