Structure-Based Discovery of a Novel Allosteric Inhibitor against Human Dopamine Transporter. - Shengzhe Deng; Haiwei Zhang; Rongpei Gou; Ding Luo; Zerong Liu; Feng Zhu 004; Weiwei Xue (J. Chem. Inf. Model., 2023)

CNSMolGen: A Bidirectional Recurrent Neural Network-Based Generative Model for De Novo Central Nervous System Drug Design. - Rongpei Gou; Jingyi Yang; Menghan Guo; Yingjun Chen; Weiwei Xue (J. Chem. Inf. Model., 2024)

Molecular Mechanism-Driven Discovery of Novel Small Molecule Inhibitors against Drug-Resistant SARS-CoV-2 Mpro Variants. - Jingyi Yang; Beibei Fu; Rongpei Gou; Xiaoyuan Lin; Haibo Wu 005; Weiwei Xue (J. Chem. Inf. Model., 2024)

Computational Chemistry in Structure-Based Solute Carrier Transporter Drug Design: Recent Advances and Future Perspectives. - Gao Tu; Tingting Fu; Guoxun Zheng; Binbin Xu; Rongpei Gou; Ding Luo; Panpan Wang; Weiwei Xue (J. Chem. Inf. Model., 2024)