Universität Wien

270124 VO Computer Graphics and Molecular Modelling (2022W)

2.00 ECTS (1.00 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

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

Wednesday 05.10. 13:00 - 14:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
Wednesday 12.10. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 19.10. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 09.11. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 16.11. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 23.11. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 30.11. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 07.12. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42
Wednesday 14.12. 13:00 - 14:00 Hörsaal 4 Chemie HP Währinger Straße 42

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

Follow the link below for some example questions:

https://docs.google.com/document/d/1HRS5RtRaOkS1_uzyeWrULfKBzT5173KIcFxiHoGScsU

This document will be adapted/modified as the lecture progresses

Reading list


Association in the course directory

CH-CBS-01, TC-3, BC-CHE II-7, CHE II-7, Design

Last modified: We 13.09.2023 09:08