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301236 UE Exercises in Computational Structural Biology (2020S)

DK Integrative Structural Biology

2.00 ECTS (2.00 SWS), SPL 30 - Biologie
Continuous assessment of course work



max. 15 participants
Language: English



Vorbesprechung: 6.3.2020 (Friday), 13.30 Uhr im HS B/VBC 5.

Course location: online via Zoom
Course: 20. - 30.4. + 4.5.2020 13.00 - 17.00 Uhr
Prerequisite: VO Computergestuetzte Strukturelle Biologie (Computational Structural Biology lecture)
Included in the teaching program of the PhD program "Integrative Structural Biology", part of the Vienna Doctoral School.


Aims, contents and method of the course

Building upon the theoretical lectures in the course Computational Structural Biology, the present course will introduce students to the practice of setting up, running and analyzing molecular dynamics simulations of biomolecules using the program suite GROMACS.

Assessment and permitted materials

Presentation of the final practical project (50% of the grade); written report from the practicals (50% of the grade).

Minimum requirements and assessment criteria

a. Minimum requirements: at least 50% success; b.Assessment criteria: Performance on the oral exam - 1 (excellent)|90-100%|2 (good): 75-89.99%|3 (satisfactory): 60-74.99%|4 (sufficient): 50-59.99%|5 (insufficient): 0-49.99%

Examination topics

Contents of practical exercises and their theoretical background.

Reading list

Dan Frenkel and Berend Smit: Understanding Molecular Simulation, ISBN ISBN: 9780122673511; Andrew Leach: Molecular Modeling, ISBN-13: 978-0582382107.

Association in the course directory

MMB I-3, MMB I-4, MMB II-3, MMB II-4, MMEI III, PhD MB 1, PhD MB 2

Last modified: Th 23.04.2020 12:28