Universität Wien

270004 UE Computational Course for Biol. Chemists (2024W)

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

Until the official ical entries become available, please find the preliminary schedule below:

The Übung (practical exercises) consist of three independent parts. Each part consist of (1) introductory and (in part) follow-up lecture units. Participation in these lectures is strongly recommended. (2) The practical exercises of each part can be carried out according to your own scheduling/planning via Moodle and the JupyterHub server of the Univ. of Vienna, as well as additional web servers linked to from Moodle.

Planned lectures: October 4/7/11, 2024, HS III, 13:00-16:00 (Peter Wolschann)
October 14/18/21/25, 2024, HS III, 13:00-16:00 (Christoph Flamm)
October 28, November 4, 2024 SR3, 15:30-17:00 (Stefan Boresch)

Please plan sufficient time in addition to the lecture units for the practical exercises. First exercises will become available on Moodle on Oct 1, 2024.
You should complete the course (including handing in the protocols for all three parts) by mid-November.

  • Friday 04.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Monday 07.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Friday 11.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Monday 14.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Friday 18.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Monday 21.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Friday 25.10. 13:00 - 16:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP
  • Monday 28.10. 15:30 - 17:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Monday 04.11. 15:30 - 17:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1

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: Tu 17.09.2024 15:06