TCB Hands-on Workshop in Urbana

Lectures

  • Mon, 8/10: Introduction to Protein Structure and Dynamics, K. Schulten 
    • Opening Remarks (pdf)
    • Structure and Sequence Analysis with VMD (pdf, pdf)
    • Introduction to Molecular Dynamics with NAMD (pdf)
    • VMD 1.8.7 - Key features of recent release (John Stone) (pdf)

  • Tue, 8/11: Statistical Mechanics of Proteins, K. Schulten 
    • Analysis of Equilibrium and Non-equilibrium Properties of Proteins with NAMD (pdf, pdf, pdf
    • Exemplary Applications of VMD / NAMD in Modern Research (pdf)
    • NAMD 2.7 -  Key features of upcoming release (Chris Harrison) (pdf

  • Wed, 8/12: Introduction to Bioinformatics, Z. Luthey-Schulten
    •  Introduction to Evolutionary Concepts in Bioinformatics: MultiSeq in VMD (pdf
    • Application of MultiSeq to Evolution of Translation Machinery (pdf)
    • Sequence analysis in VMD 1.8.7 -  Key features (Kirby Vandivort) (pdf)

  • Thu, 8/13: Parameters for Classical Force Fields, E. Tajkhorshid
    • Introduction to Topology, Parameters, and Structure Files (pdf)
    • Examples and Applications (pdf)
    • GPU accelerated NAMD 2.7 (Jim Phillips) (pdf)

  • Fri, 8/14: Simulating Membrane Channels, E. Tajkhorshid
    • Introduction and Examples (pdf)
    • Membrane Transporters (pdf)
    • Highlights of VMD plugins (Robert Brunner) (pdf)