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  • Research Interests, Present Position, Publications, CV

    Selected Projects

  • Molecular Dynamics of Elastin: Inverse Temperature Transition
  • MD of Hydrophobic Collapse in Ubiquitin
  • MD Simulations of Ubiquitin in 60% MeOH and Water
  • Daggett Group Web Server (under development)
  • Other Projects

    Miscellaneous

  • Links to Protein Structure Data Bases
  • Personal: Mainly Alaska and Rock Climbing
  • Dept. Medicinal Chemistry
  • University of Washington Home Page
  • Washington State Home Page

    Figure Caption
    The figure on the right shows mainchain traces and sidechain contact maps for structures between 4.2 and 5.32 ns taken from a high temperature simulation of the E-domain of Protein A. During this latter part of the simulation, the protein re-formed native secondary structure and contacts, however the topology of the helices mirrored that of the NMR structure: H1 (red) is front in the simulation structures and in the rear in the NMR structure. As expected at high temperature, the native-like state only existed transiently. Times are given below the contacts maps, and the NMR structure is presented for comparison. MPEG MOVIE (13 MB) Quicktime MOVIE (83 MB)

    • Conformational Sampling in High Temperature Simulations

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