Houjun Liu

Immunogen Design

Using a bunch of signals to create a 3d representation of the system


  • cyro-EM
  • x-ray
  • tomo
  • glynomics/libidomics
  • genetics

studying large-scale viron surface protein behavior using MD

“we are so biased by what we can see experimentally, so do MD”

“breathing” motion

  • proteins of specific virons “breath”: oning and closing an entire backbone group; this is not yet quantified in physical modeling
  • when its open, the “breathing open” motion causes the virus to be vunerable
  • so some antibodies jam into the open position

“head tilting” motion

  • when its tilted, there is an epitope that becomes exposed
  • this is a site that’s possible for introduction of what’s needed

overall architecture

  • use conventional MD
  • discover regions of instability (see above for examples) for possible binding surfaces
  • bam inhibition!

maybe at some point run a cyro-EM to experimentally run some