2003 Summer School on Computational Materials Science
Theoretical and Computational Biology
The summer school will explore a wide range of physical models and computational approaches used for the simulation of biological systems and the investigation of their function at an atomic level. The course will be based on case studies including the properties of membranes, mechanisms of molecular motors, trafficking in the living cell through water and ion channels, signaling pathways, visual receptors, and photosynthesis. Relevant physical concepts, mathematical techniques, and computational methods will be introduced, including force fields and algorithms used in molecular modeling, molecular dynamics simulations on parallel computers, steered molecular dynamics simulations, and combined quantum mechanical - molecular mechanical calculations.
The workshop is designed for graduate students and postdoctoral researchers in computational and/or biophysical fields who seek to extend their research skills to include computational and theoretical expertise, as well as other researchers interested in theoretical and computational biophysics. Theory sessions will be followed by hands-on computer labs in which students will be able to set up and run simulations.
The Theoretical and Computational Biophysics Group maintains a presentation archive of the 2003 Summer School materials.
Topics and presenters, in chronological order
- Mon, 6/2/2003: Introduction to Protein Structure and Dynamics (K. Schulten)
- Tue, 6/3/2003: Statistical Mechanics of Proteins (I. Kosztin)
- Wed, 6/4/2003: Steered Molecular Dynamics of Proteins (K. Schulten)
- Thu, 6/5/2003: Simulating Membrane Channels (E. Tajkhorshid)
- Fri, 6/6/2003: Quantum Chemistry of Proteins (T. Martinez)
- Mon, 6/9: Parameters for Classical Force Fields (Z. Schulten)
- Tue, 6/10: Bioinformatics of Proteins (Z. Schulten)
- Wed, 6/11: Simulation of Lipids (M. Klein); Parallel Computing (L. Kale)
- Thu, 6/12: Numerical Algorithms (T. Schlick, R. Skeel)
- Fri, 6/13: Modeling Large Systems (K. Schulten)
Sponsors & Organizers
The Summer School is held at University of Illinois at Urbana-Champaign campus and is sponsored in part by: