Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling

  • Shuoyan Tan
  • , Qianqian Zhang
  • , Jun Wang
  • , Peng Gao
  • , Guotong Xie
  • , Huanxiang Liu
  • , Xiaojun Yao

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

22 Citations (Scopus)

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Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science