Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis

  • Yuzhen Niu
  • , Danfeng Shi
  • , Lanlan Li
  • , Jingyun Guo
  • , Huanxiang Liu
  • , Xiaojun Yao

Research output: Contribution to journal › Article › peer-review

27 Citations (Scopus)

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Chemistry

Pharmacology, Toxicology and Pharmaceutical Science

Biochemistry, Genetics and Molecular Biology