Computersimulation biomolekularar Prozesse (WiSe 2005/2006)

1. Introduction to protein function, molecular dynamics
2. Protein structure, force fields, molecular dynamics algorithms
3. Molecular Dynamics simulation systems and special issues
4. Principal Components, Free energy calculations (I)
5. Free energy calculations (II), force probe simulations
6. Structure determination by NMR and x-ray scattering
7. Sequence alignment, homology modeling
8. Examples from Current research: Aquaporin, F-ATPase, titin kinase

1. Introduction to Molecular Dynamics
2. Molecular Dynamics simulations of proteins
3. Principal components analysis
4. Free energy calculation
5. Protein structure determination by x-ray crystallography and NMR
6. Sequence retrieval, alignment and phylogenetic trees