wang-lin-boop / ppi-miner Goto Github PK

🔭 I'm Lin Wang (王林), a Ph.D. student of ShanghaiTech University, supervised by Fang Bai (白芳).

😄 My research interests are focused on developing artificial intelligence methods for the lead discovery and applying them to design drugs for the treatment of cancer, inflammation, neurodegenerative diseases, and chronic illnesses. I have a particular interest in developing molecular modulators for protein conformational changes and protein-protein interactions. I am dedicated to advancing computational methods for molecular representation learning and molecular design to revolutionize drug discovery approaches.

🌱 My Representative Works

• GeminiMol: a generic molecular representation model pre-trained on a miniaturized dataset (39,290), which incorporates conformational space profile into molecular representation learning. BioRxiv GitHub
• PPI-Miner: a motif-driven PPI identification method, that can be applied to discovering novel PPIs, the rational design of molecular glues, and protein vaccines. Using the PPI-Miner, we developed the first potential substrates database of CRBN, serving the rational design of molecular glue degraders. [Journal of Chemical Information and Modeling] [Online Database]
• Discovery of PPI disruptors by targeting the SARS-CoV-2 spike protein. [Journal of Medicinal Chemistry | Acta Pharmacologica Sinica]