Computational Modeling of H5N1 Hemagluttinin

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Computational Modeling of H5N1 Hemagluttinin

• Chinese Academy of Sciences, Beijing
• ??? (Ryan Ferrell)July 23, 2007

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Project Goals

• Construct a valid computational model of H5N1
  avian flu hemagglutinin binding to avian and
  human type sialosides
• Verify by re-docking experiment in AutoDock 4
• Define intermolecular interactions changed by
  mutations introduced in silico (using Modeller)
  to hemagglutinin
• Results may explain previously published in vitro
  findings

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Progress

• Receptor model possibly erroneously deformed
  after simulating pH
• Blue indicates deviation in structure after
  simulating crystallization pH.

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Further Plans

• Literature research to further understand the
  receptor binding domain and this specific crystal
  structure
• I have developed right ulnar nerve neuropathy and
  have to work 2 hours or less per day with a
  computer until symptoms subside, so journal
  research will be printed for reading

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Trip to Beidaihe
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Weekend Trip to Beidaihe

• We trained to a famous beach resort town on
  Chinas northeast coast with two Chinese students
  at CAS
• Most vacation spots in China are tacky and
  polluted (although often with breathtaking
  vistas)
• Beidaihe was no different
• More photos of delicious food and the sights are
  at http//picasaweb.google.com/feralryan/

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Delicious shellfish is the number one
non-historical attraction of Beidaihe
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Speed-boating to Old Dragon Head (where the
Great Wall hits the ocean) was Sundays highlight
tourist adventure.
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One of the names for white people in Chinese is
white devil.