270037 UE Laboratory Course: Computer Graphics and Molecular Modelling (2011W)
Continuous assessment of course work
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Zeit: 28.11-16.12.2011, 13h Vorlesung, in Anschluss daran Uebungen bis 18h
Ort: Institut f. Computergestützte Biologische Chemie, Waehringerstr. 17, Erdgeschoss
Ort: Institut f. Computergestützte Biologische Chemie, Waehringerstr. 17, Erdgeschoss
Details
Information
Aims, contents and method of the course
Assessment and permitted materials
Grading: Continuous evaluation of participation in the course, combined with the protocol to be handed in at the end of the course.
Minimum requirements and assessment criteria
Students know how to use molecular graphics programs to visualize information about a protein and to
explore differences in related structures. Basic concepts
of molecular mechanics calculations are used to complement structure based techniques.
explore differences in related structures. Basic concepts
of molecular mechanics calculations are used to complement structure based techniques.
Examination topics
Practical work at the computer
Reading list
Association in the course directory
TC-3, M205, M206
Last modified: Fr 31.08.2018 08:55
Introduction to molecular graphics programs (WHATIF, vmd). Comparison of NMR and X-Ray structure of a protein.
Quantifying structural differences (RMSD, Secondary Structure
Assignment, hydrogen bond networks...). Introduction in some
of the advanced functions of WHATIF. Filling gaps in pdb data sets.
Manual building of a peptide and assignment of coordinates corresponding,
e.g., to an ideal alpha helix. Simple homology modeling. "Nice"
representations of protein structures (vmd). A first introduction
into molecular mechanics calculations (CHARMM).Study aids: are handed out during the course (mostly in English, some in German).