Simulations of Polyphenylacetylene (PPA) “Foldamers”. Vijay Pande, Stanford University. @ Stanford/ IBM ARC/ UC Davis/ UC Berkeley

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November 29, 2006

  1. What are PPA “foldamers”
    1. nonbiological polymers that fold
    2. model systems for self-assembling nano structures
    3. challenge for simulation: long timescale and complex dynamics
  2.  New results
    1. longer chains considerably are more complex: multiple traps and remarkable complexity
    2. new methods used to predicted long timescale behavior: Markovian model and Folding@Home grid computing
    3. Folding@Home: a new paradigm of combined research and outreach
Work performed by Sidney Elmer, CPIMA supported graduate student Download .pdf