Shuoyan Tan

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

Qifeng Bai, Shuoyan Tan, Tingyang Xu et al. · Briefings in Bioinformatics · 2020 · 278 citations · Full text

Artificial Intelligence, Drug Target, Engineering +21

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 et al. · ACS Chemical Neuroscience · 2022 · 22 citations

Drug Target, Engineering, Molecular Biology +18

Identification of LRRK2 Inhibitors through Computational Drug Repurposing

Shuoyan Tan, Ruiqiang Lu, Dahong Yao et al. · ACS Chemical Neuroscience · 2023 · 22 citations

Improving drug-target affinity prediction via feature fusion and knowledge distillation

Ruiqiang Lu, Jun Wang, Pengyong Li et al. · Briefings in Bioinformatics · 2023 · 22 citations · Full text

Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain

Shuoyan Tan, Xiaoqing Gong, Huanxiang Liu et al. · ACS Chemical Neuroscience · 2021 · 20 citations