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

26 Citations (Scopus)

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Chemistry

Pharmacology, Toxicology and Pharmaceutical Science

Biochemistry, Genetics and Molecular Biology