Universität Wien

270004 UE Computational Course for Biol.Chemists (2023W)

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 course is blocked and takes runs from the beginning of October till mid-November. You are mostly free to schedule your work hours, but introductory lectures to the three blocks are held in person at the dates listed above. Further details can be found on the Moodle pages (once it is opened to the public).

  • Friday 06.10. 14:15 - 16:45 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
  • Monday 16.10. 16:30 - 17:30 Seminarraum 1 Analytische Chemie 2.OG Boltzmanngasse 1
  • Monday 23.10. 16:30 - 17:30 Seminarraum 1 Analytische Chemie 2.OG Boltzmanngasse 1
  • Monday 06.11. 12:15 - 13:45 Seminarraum 2 Währinger Straße 38 Dekanat 1. Stock
  • Monday 13.11. 12:15 - 13:45 Seminarraum 2 Währinger Straße 38 Dekanat 1. Stock

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

IMA I-1, BC-DAT I-1

Last modified: Th 07.09.2023 15:27