Universität Wien
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270124 VO Computer Graphics and Molecular Modelling (2025W)

2.00 ECTS (1.00 SWS), SPL 27 - Chemie

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Details

Language: German, English

Lecturers

    Classes

    Currently no class schedule is known.

    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

    Required reading: https://pdb101.rcsb.org/learn/guide-to-understanding-pdb-data/introduction

    A. Leach, Molecular Modelling

    Association in the course directory

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

    Last modified: Fr 27.06.2025 00:02