Universität Wien
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301232 VO Computational Structural Biology (2026S)

3.00 ECTS (2.00 SWS), SPL 30 - Biologie
Moodle

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Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

Vorbesprechung: 4.3.26, 1 pm, HS B, Campus Vienna Biocenter 5, 1030 Wien

  • Monday 16.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Tuesday 17.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Wednesday 18.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Thursday 19.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Friday 20.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Monday 23.03. 09:00 - 12:00 BZB/Seminarraum 1/2, 6.Ebene 6.501/6.504, Dr.-Bohr-Gasse 9, 1030 Wien
  • Tuesday 24.03. 09:00 - 11:30 STB/Hörsaal B Campus Vienna Biocenter 5, 1030 Wien
  • Wednesday 25.03. 09:00 - 12:00 STB/Hörsaal A Campus Vienna Biocenter 5, 1030 Wien
  • Thursday 26.03. 08:00 - 11:15 Hörsaal 3, Biologie Djerassiplatz 1, 0.005, Ebene 0
  • Friday 27.03. 09:00 - 12:00 STB/Hörsaal B Campus Vienna Biocenter 5, 1030 Wien

Information

Aims, contents and method of the course

Computational methods have become an indispensible part of modern structural biology and biophysics research. In this course, we will introduce the fundamentals of modeling of biological structures and their dynamics at the level of individual molecules and with the aid of physico-chemically realistic models. Topics include: principles of molecular dynamics and Monte Carlo simulations of biomolecules, development and application of force fields, treatment of solvent and electrostatics, computational techniques for the refinement of biomolecular structures, free-energy calculations and protein structure prediction. In case of interest, students are encouraged to also take the practical exercises that complement this course, UE 301236-1 (UE zur computergestuetzten strukturellen Biologie).

Assessment and permitted materials

Written exam

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 the lectures as given in the handouts and lecture notes.

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 III-1a:, MMEI III

Last modified: We 17.06.2026 10:07