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 journalArticlepeer-review

18 Citations (Scopus)

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Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science