LabCompass

Woong‐Hee Shin

Computer Science · Purdue University West Lafayette

OpenAlex ORCID
Mid career · publishing since 2011Rising activity
Computational Drug Discovery MethodsProtein Structure and DynamicsEnzyme Structure and FunctionBioinformatics and Genomic NetworksHIV Research and Treatment

Publications

97

Citations

1,830

Est. group size

~1

Recurring co-author estimate

Active years

16

Publishing since 2011

Research summary
AI-generated

Woong-Hee Shin works on computational methods for drug discovery, particularly structure-based approaches for predicting how small molecules and peptides interact with proteins and other biomolecules. Recent work combines physics-based modeling with machine learning and AI (such as protein/ligand language models and AlphaFold-based structure prediction) to improve virtual screening, docking, and binding-site prediction, with applications including kinase inhibitors, BACE1 inhibitors relevant to neurodegeneration, and cancer-related drug targets.

Structure-based drug discovery and virtual screeningProtein-ligand and peptide-protein dockingMachine learning and AI for molecular modeling (language models, deep learning)Enzyme inhibitor discovery (e.g., BACE1, kinases, WRN)Bioinformatics tools for structural biology

Publication output has fluctuated over the last decade but shows a recent increase, with notably higher counts in 2024 and 2026 compared to earlier years.

Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026

Publication cadence
Publications per year over the last 10 years — averaging 9.0/year recently
2017: 7 publications172018: 4 publications182019: 12 publications192020: 4 publications202021: 6 publications212022: 8 publications222023: 3 publications232024: 15 publications15242025: 8 publications252026: 11 publications26
Recent publications
Publishes in
  • bioRxiv (Cold Spring Harbor Laboratory)×8
  • Zenodo (CERN European Organization for Nuclear Research)×8
  • Proteins Structure Function and Bioinformatics×5
  • Scientific Reports×5
  • eLife×4
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This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.

Last updated Jul 20, 2026.

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