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Hi there πŸ‘‹

πŸ”­ I'm Lin Wang (ηŽ‹ζž—), a postdoc in Institute of Systems Medicine of Chinese Academy of Medical Sciences, supervised by Prof. Yang Zhang.

πŸ˜„ 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]

Lin WANG's Projects

alphafolddb_processing icon alphafolddb_processing

This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence of the disordered region to make it available for sequence motif searching.

automd icon automd

Easy to get started with molecular dynamics simulation.

biodb-search icon biodb-search

A user-friendly biomedical database integration interface.

cadd-scripts icon cadd-scripts

Scripts for virtual screening, cross docking and protein relax using SchrΓΆdinegr and Rosetta

geminimol icon geminimol

Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.

getpdb icon getpdb

Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicates(Optional, maybe lost some conformation changed structures) and save as "UniprotID-PDBID-ModelID-ChainID.pdb/cif".

glam icon glam

Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".

hpc_monitor icon hpc_monitor

Automatic monitoring of HPC information and Send warning information by E-mail.

ppi-miner icon ppi-miner

A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design

rfdesign icon rfdesign

Protein hallucination and inpainting with RoseTTAFold

wanglin icon wanglin

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

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