Lectures

  • Mon, 6/16: Introduction to Protein Structure and Dynamics - Klaus Schulten
    • Opening Remarks (pdf)
    • Structure and Sequence Analysis with VMD (pdf)
    • Introduction to Molecular Dynamics with NAMD (pdf)

  • Tue, 6/17: Introduction to Protein Structure and Dynamics - Klaus Schulten
    • Analysis of Equilibrium and Non-equilibrium Properties of Proteins with NAMD (pdf) 
    • Applications of VMD / NAMD in Modern Research (pdf)

  • Wed, 6/18: Statistical Mechanics of Proteins - Klaus Schulten, Chris Chipot
    • Modeling and Sequence Analysis of the Water Channel Aquaporin (K. Schulten) (pdf) 
    • Introduction to Free-energy Calculations (C. Chipot) (pdf)

  • Thu, 6/19: Parameters for Classical Force Fields - Emad Tajkhorshid
    • Introduction to Topology, Parameters, and Structure Files (pdf)
    • Examples and Applications (pdf)

  • Fri, 6/20: Simulating Membrane Channels - Emad Tajkhorshid and Ulrich Kleinekathoefer
    • Membrane Simulation with NAMD (E. Tajkhorshid) (pdf)
    • Transport through (biological) Nanopores (U. Kleinekatoefer) (pdf)