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Bioinformatika

Bioinformatika

ENBIK

ENBIK

« one step back EDUCATION

Structural bioinformatics (N320086SIS)

Lecture Exercise Laboratory Examination Credits
2 0 0 Zk 3
   
Guarantor Spiwok Vojtěch
Teacher Spiwok Vojtěch

Annotation:

Lectures will provide an introduction to the field of structural bioinformatics, the field that deals with predictions of structures of proteins and other biomolecules and their complexes. The first part will be focused rather on heuristic methods, whereas the second is dedicated to simulation techniques.

Syllabus:

  1. Introduction, projects
  2. Protein structure – recapitulation
  3. Protein structure prediction – homology modelling
  4. Protein structure prediction – advanced tasks
  5. Protein-ligand docking
  6. Virtual ligand screening
  7. Protein-protein docking
  8. Molecular dynamics simulation of proteins
  9. Force fields – customizations
  10. Molecular dynamics simulation of nucleic acids and saccharides
  11. Simulation speed-up – metadynamics
  12. Simulation speed-up – parallel tempering
  13. Protein folding simulations
  14. Presentations of projects

Notes:

  • At the end of the term students present projects and take an written exam