WiSe 2004/2005: Computersimulation biomolekularer Prozesse
Lectures
- Protein structure, function, and sequence
- Protein structure prediction, determination, and refinement
- Molecular Dynamics Simulation: Method, Force Fields
- Molecular Dynamics Simulation: Simulation system, special issues
- Normal mode analysis (NMA), principal components analysis (PCA)
- Free energy calculation: Perturbation and Thermodynamic Integration
Practicals
- Introduction to sequence analysis
- Secondary and tertiary structure prediction
- Protein structure determination by x-ray crystallography and NMR
- Introduction to Molecular Dynamics
- Molecular Dynamics simulations of proteins
- Principal components analysis
- Free energy calculation