Biography Details

Dr. Hao Fan

Principal investigator
Fan Lab 
fanh _at_

Research interests
  • 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 is Principal Investigator of the Structure-based Ligand Discovery and Design Group at the Bioinformatics Institute in Agency for Science, Technology and Research, adjunct assistant professor at the Department of Biological Sciences in National University of Singapore, and adjunct assistant professor at Centre for Computational Biology in DUKE-NUS Medical School. 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. He obtained his Ph.D in Biophysical Chemistry in Dr. Alan Mark's lab at University of Groningen. He received his undergraduate degree in Biological Sciences in University of Science and Technology of China.


    Selected Publications                                                                                                        (full list)

    • Lin Y, Krishna Deepak RNV, Zheng JZ, Fan H*, Zheng L* “A dual substrate-accessing mechanism of a major facilitator superfamily protein facilitates lysophospholipid flipping across the cell membrane” J. Biol. Chem. 2018, in press.

    • Krishna Deepak RNV, Abdullah A, Fan H*, Ravanan P* “Identification of FDA-approved drugs as novel allosteric inhibitors of human executioner caspases” Proteins 2018, in press.

    • Lim VJY, Du W, Chen YZ, Fan H* “A benchmarking study on virtual ligand screening against homology models of human GPCRs” Proteins 2018, in press.

    • 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.

    • Rettenmaier TJ1, Fan H1*, 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.

    • Hitchcock DS1, Fan H1, 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.

    • 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.
      Pubmed    Server

    • 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.






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