Universität Wien

270073 VO Computer Graphics and Molecular Modelling (2020W)

2.50 ECTS (2.00 SWS), SPL 27 - Chemie
Moodle

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Details

Language: German

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

The course will be held by Christian Schroeder and Stefan Boresch.

It will be held remotely.

Likely date/time of the "lecture" (via video conference): Monday, 14-16h till the start of the Christmas break. No lectures in January. All lectures (video conferences) will be recorded and made available.

  • Wednesday 07.10. 14:00 - 16:00 Digital
  • Wednesday 14.10. 14:00 - 16:00 Digital
  • Wednesday 28.10. 14:00 - 16:00 Digital
  • Wednesday 04.11. 14:00 - 16:00 Digital
  • Wednesday 11.11. 14:00 - 16:00 Digital
  • Wednesday 18.11. 14:00 - 16:00 Digital
  • Wednesday 25.11. 14:00 - 16:00 Digital
  • Wednesday 02.12. 14:00 - 16:00 Digital
  • Wednesday 09.12. 14:00 - 16:00 Digital
  • Wednesday 16.12. 14:00 - 16:00 Digital

Information

Aims, contents and method of the course

Contents:
1. Geometry: RMSD, radius of gyration, SASA, B-factors
2. Enegetics: Knowledge-based potentials, force field, minimization, normal mode analysis
3. Statistics: Monte Carlo method
4. Solvation: Continuum models and generalized Born

Assessment and permitted materials

grading: written exam (digital).

Minimum requirements and assessment criteria

Presentation of the theoretical concepts used in the accompaning exercises.

Examination topics

Reading list

Association in the course directory

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

Last modified: Fr 12.05.2023 00:22