Md investigation on the interaction between carbamazepine and two cyp isoforms, cyp3a4 and cyp3a5

HIGHLIGHTS

  • who: Shuhui Liu and Yang Xu from the Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China have published the research work: MD Investigation on the Interaction between Carbamazepine and Two CYP Isoforms, CYP3A4 and CYP3A5, in the Journal: (JOURNAL) of 15/05/2022
  • what: Conventional molecular dynamics method was used to the research the binding of the anticonvulsant with twodynamics CYP isoforms, CYP3A4 CYP3A5. simulation results of ConventionalCBZ molecular method wasand used to the
  • how: In this work classical molecular dynamics (MD) simulation was used to investigate the detailed interaction . . .

     

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