Biography Details
Dr. FAN Hao
Principal Investigator
Areas of Research Interest
  • Developing computational techniques to study the interactions between biomolecules and small molecule ligands.
  • Structural and functional annotation of uncharacterized enzymes in superfamily/genome scale.
  • Ligand discovery for proteins in cell signaling pathways such as GPCRs and downstream kinases.
Dr. Hao Fan was appointed Principal Investigator at the Bioinformatics Institute (BII), A*STAR in February 2014. The broad goal of his group is to develop computational techniques to facilitate ligand discovery in the superfamily/genome scale. The developed methods will be applied to families of uncharacterized enzymes and therapeutic targets such as GPCRs and kinases, to contribute to a better understanding and regulation of biological processes, as well as the discovery of new drugs. The computational predictions will be tested experimentally through collaborations. Prior to joining Singapore, he worked as a postdoctoral fellow followed by a research scientist in both Dr. Andrej Sali's lab and Dr. Brian Shoichet's lab at University of California, San Francisco (UCSF). He obtained his Ph.D in Biophysical Chemistry in Dr. Alan Mark's lab at University of Groningen (RUG). He received his undergraduate degree in Biological Sciences in University of Science and Technology of China (USTC).
Selected Publications
  1. Heng Liu, Hee Ryung Kim, R. N. V. Krishna Deepak, Lei Wang, Ka Young Chung, Hao Fan, Zhiyi Wei & Cheng Zhang.
    Orthosteric and allosteric action of the C5a receptor antagonists.
    Nature Structural & Molecular Biology (2018) doi:10.1038/s41594-018-0067-z.

  2. Quek DQ, Nguyen LN, Fan H, Silver DL.
    Structural insights into the transport mechanism of the human sodium-dependent lysophosphatidylcholine transporter Mfsd2a.
    J. Biol. Chem. 2016, 291:9383-9394.
    PMID: 26945070

  3. Rettenmaier TJ, Fan H, Karpiak J, Doak A, Sali A, Shoichet BK, Wells JA.
    Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.
    J. Med. Chem. 2015, 58:8285-8291.
    PMID: 26443011

  4. Hitchcock DS, Fan H, Kim J, Vetting M, Hillerich B, Seidel RD, Almo SC, Shoichet BK, Sali A, Raushel FM.
    Structure-guided discovery of new deaminase enzymes.
    J. Am. Chem. Soc. 2013, 135:13927-13933.
    PMID: 23968233

  5. Fan H, Hitchcock DS, Almo SC, Sali A, Raushel FM, Shoichet BK.
    Assignment of pterin deaminase activity to an enzyme of unknown function guided by homology modeling and docking.
    J. Am. Chem. Soc. 2013, 135:795-803.
    PMID: 23256477

  6. Fan H, Schneidman D, Irwin JJ, Dong G, Shoichet BK, Sali A.
    Statistical potential for modeling and ranking protein-ligand interactions.
    J. Chem. Inf. Model. 2011, 51:3078-3092. Server.
    PMID: 22014038

  7. Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A.
    Molecular docking screens using comparative models of proteins.
    J. Chem. Inf. Model. 2009, 49:2512-2527.
    PMID: 19845314

  8. Fan H, Periole X, Mark AE.
    Mimicking the Action of Folding Chaperones by Hamiltonian Replica-Exchange Molecular Dynamics Simulations: Application in the Refinement of de novo Models.
    Proteins 2012, 80:1744-1754.
    PMID: 22411697

  9. Fan H, Mark AE, Zhu J, Honig B.
    Comparative study of generalized Born models: Protein dynamics.
    PNAS 2005, 102:6760-6764.
    PMID: 15814616

  10. Fan H, Mark AE.
    Refinement of homology-based protein structures by molecular dynamics simulation techniques.
    Protein Sci. 2004, 13:211-220.
    PMID: 14691236

Full publications list »


Please contact us by email if you wish a reprint from any of the selected publications.
Feedback Login Site Map