Lectures

  • Mon, 10/17: 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, 10/18: Statistical Mechanics of Proteins - Klaus Schulten
    • Analysis of Equilibrium and Non-equilibrium Properties of Proteins with NAMD (pdf
    • Exemplary Applications of VMD / NAMD in Modern Research (pdf)

  • Wed, 10/19: Introduction to Bioinformatics and Forcefields - Klaus Schulten, Emad Tajkhorshid
    • Introduction to Structure and Sequence Alignment (K. Schulten) (pdf1, pdf2
    • Introduction to Topology, Parameters, and Structure Files, Part I (E. Tajkhorshid) (pdf)

  • Thu, 10/20: Parameters for Classical Force Fields - Emad Tajkhorshid
    • Introduction to Topology, Parameters, and Structure Files (pdf)
    • Examples and Applications (pdf)

  • Fri, 10/21: Simulating Membrane Channels - Emad Tajkhorshid
    • Introduction and Examples (pdf)
    • Transport in Aquaporins; Nanotubes (pdf)