Biography Details
 
Dr. FAN Hao
Principal Investigator
fanhbii.a-star.edu.sg
 
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.
 
Biography
 
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. Ho RH, Chan JCY, Fan H, Kioh DYQ, Lee BW, Chan ECY.
    In Silico and in Vitro Interactions between Short Chain Fatty Acids and Human Histone Deacetylases.
    Biochemistry. 2017 Aug 24. doi: 10.1021/acs.biochem.7b00508. [Epub ahead of print].
    PMID: 28809557


  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.
    Mimicking the action of folding chaperones in molecular dynamics simulations: Application to the refinement of homology-based protein structures.
    Protein Sci. 2004, 13:992-999.
    PMID: 15010545


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


 

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