π I'm Lin Wang (ηζ), a postdoc in Institute of Systems Medicine of Chinese Academy of Medical Sciences, supervised by Prof. Yang Zhang.
π 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.
π± 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]