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Interactions of 2-phenyl-benzotriazole xenobiotic compounds with human Cytochrome P450-CYP1A1 by means of docking, molecular dynamics simulations and MM-GBSA calculations.

Karel Mena-UleciaDesmond MacLeod-Carey
Published in: Comput. Biol. Chem. (2018)
Keyphrases
  • molecular dynamics simulations
  • experimental data
  • computational methods
  • molecular dynamics