Computersimulation biomolekularar Prozesse (WiSe 2004/2005)

1. Protein structure, function, and sequence
2. Protein structure prediction, determination, and refinement
3. Molecular Dynamics Simulation: Method, Force Fields
4. Molecular Dynamics Simulation: Simulation system, special issues
5. Normal mode analysis (NMA), principal components analysis (PCA)
6. Free energy calculation: Perturbation and Thermodynamic Integration

1. Introduction to sequence analysis
2. Secondary and tertiary structure prediction
3. Protein structure determination by x-ray crystallography and NMR
4. Introduction to Molecular Dynamics
5. Molecular Dynamics simulations of proteins
6. Principal components analysis
7. Free energy calculation