Projects

Research Projects

TF3P: Three-dimensional Force Fields Fingerprint Learned by Deep Capsular Network.
Nov. 2018 - May 2020 Advisor: Liangren Zhang, Zhenming Liu @ Peking University

• Developed a new 3D fingerprint, TF3P, using the deep capsular network;
• TF3P outperforms other fingerprints on retrieving similar targets by similar ligands.

DeepScaffold: A Comprehensive Tool for Scaffold-Directed Drug Discovery Using Deep Learning
Aug. 2018 - June. 2019 Advisor: Liangren Zhang, Zhenming Liu @ Peking University

• Developed graph-based deep generative models for scaffold-based molecular derivatization;
• Demonstrated the excellent performance of the model using molecular docking.

Discovery of Novel Inhibitors of Glycogen Synthase Kinase-3$\alpha$ for Treatment of Acute Myeloid Leukemia
Aug. 2017 - Dec. 2018 Advisor: Liangren Zhang, Zhenming Liu @ Peking University

• Identified a novel chemical series of GSK-3$\alpha$ inhibitors by structure-based virtual screening;
• Summarized the structure-activity relationship (SAR) by similarity search;
• Demonstrate their excellent anti-leukemia effects in vitro;
• Elucidated the SAR by molecular docking and dynamics simulations.

QSAR of Acylphloroglucinol-Based Meroterpenoid Inhibitors of KSHV From Hypericum Japonicum
Jan. 2018 - Mar. 2018 Advisor: Liangren Zhang, Zhenming Liu @ Peking University

• Field-based 3D QSAR of KSHV inhibitors extracted from Hypericum japonicum.

Discovery of New GSK-3$\beta$ Inhibitors Through Structure-Based Virtual Screening
Apr. 2017 - Aug. 2017 Advisor: Liangren Zhang, Zhenming Liu @ Peking University

• Binding modes prediction by molecular docking and dynamics simulations.

Activating Thioesterification in Synthesis of Peptidyl Thioesters by Peroglutamyl Imide
Feb. 2017 - Mar. 2017 Advisor: Suwei Dong @ Peking University

• Synthesis of peptide-glutamylhydrazine-resin complex.

Internal Activation of Peptidyl Selenoprolyl Thioester in Peptide Ligation in Pro-Cys Site
July 2016 - Jan. 2017 Advisor: Suwei Dong @ Peking University

• Synthesis of $\gamma$-selenoproline;
• Synthesis of selenocystine;
• Synthesis of west-side peptidyl thioesters.

Synthesis of Proline Derivatives
July 2015 - Aug. 2016 Advisor: Suwei Dong @ Peking University

• Lab skill training on organic synthesis.