My main motivation is to unravel molecular mechanisms and to modulate emergent behavior of biomolecular networks with the development and application of computational tools (including molecular modeling, network simulation, optimization, machine learning, graph theory, and systems and control theory). To that end, I aim at an iterative process that models and experiments can feed each other.

selected publications
Academic Articles13
  • Tan, M., Huang, C., Shih, E., Chen, T., Wu, C., Fang, W., ... Šmuc, T. (2021). Crowdsourced mapping of unexplored target space of kinase inhibitors. 12(1), 3307.
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  • Lensink, M. F., Moal, I. H., Bates, P. A., Kastritis, P. L., Melquiond, A., Karaca, E., ... Wodak, S. J. (2014). Blind prediction of interfacial water positions in CAPRI.. Proteins. (4), 620-632.
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  • Toy, W., Shen, Y., Won, H., Green, B., Sakr, R. A., Will, M., ... Chandarlapaty, S. (2013). ESR1 ligand binding domain mutations in hormone-resistant breast cancer. 45(12), 1439-1445.
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  • Shen, Y. (2009). Predicting Molecular Interactions in Structural Proteomics. Computational Protein-Protein Interactions. 203-228. CRC Press.
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Texas A&M University; Electrical Engineering; 3128 TAMU
College Station, TX 77843-3128