Universität Wien FIND

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Warning! The directory is not yet complete and will be amended until the beginning of the term.

270213 VO Computer Graphics and Molecular Modelling (2021W)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie

Registration/Deregistration

Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).

Details

Language: German, English

Lecturers

Classes

will be held digitally, probably Wednesday 14:15-15:45 from beginning of October till the Christmas break. Planned dates:
6./13./20./27. October, 3./10./17./24. November, 1./15. December 2021

NOTE: It is likely that the lectures will be in English!


Information

Aims, contents and method of the course

1. Computer Graphics (of biomolecules (proteins)), background on protein structure and structure determination, methods of representations, coloring, etc., tools to compare structures, e.g., structural superpositioning.
2. From Geometry to Characterization / Quantification of
Interactions (knowledge based potentials, atomistic force fields, implicit solvation, scoring functions)
3. Using Quantitative Description of Interactions (docking and virtual screening, minimization, normal coordinates, Monte Carlo and molecular dynamics simulations)
4. Special Topics

Assessment and permitted materials

grading: written exam (digital).

Minimum requirements and assessment criteria

Positive grade on final exam (50% of maximum number of points)

Examination topics

Reading list


Association in the course directory

TC-3, M205, M206, CHE II-6, CHE II-7

Last modified: Th 23.09.2021 13:49