Universität Wien

270004 UE Computational Course for Biol.Chemists (2025S)

4.00 ECTS (4.00 SWS), SPL 27 - Chemie
Continuous assessment of course work
Moodle

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

max. 20 participants
Language: German

Lecturers

Classes (iCal) - next class is marked with N

The March 17 class is cancelled!

The above dates are used for introductory and discussion sessions for each of the three parts of the course. The actual course work is done remotely; when you complete the exercises is up to you, provided you make the deadlines. Presence in the sessions (above dates) is recommended and important for your understanding of the exercises. If you cannot make one of the sessions, please contact the responsible person for the respective part of the course (three parts in total).

March 3-14, Peter Wolschann
March 17-28 Stefan Boresch [I am abroad on March 17, see above!]
March 31-April 11 Christoph Flamm

Further details will be provided via Moodle!

  • Monday 03.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 07.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 10.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 14.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 17.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 21.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 24.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 28.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 31.03. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 04.04. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 07.04. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Friday 11.04. 13:45 - 15:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42

Information

Aims, contents and method of the course

1) First exposure to molecular modeling software. Databse search for protein structures (PDB) und use of complementary software. Working with protein-modeling software and interactive servers. Calculation of pharmacophores and screening of compound libraries.

2) Introduction to force field calculation. Exploration of the force field terms, basics of minimization and molecular dynamics, setting up a simulation using interactive servers.

3) Introduction to computational methods for the investigation of the structure and dynamics of reaction networks formed by small organic molecules.

Assessment and permitted materials

Continuous evaluation of students' participation

Minimum requirements and assessment criteria

The material of the three parts needs to be completed. Each of the three parts has equal weight on the grade.

Examination topics

Practical work with various computer programs

Reading list

Materials and Handouts will be made available by the instructors.

Association in the course directory

BC-DAT I-1

Last modified: Fr 21.02.2025 12:07