Universität Wien FIND

270004 UE Computational Course for Biol.Chemists (2020W)

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


Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).


max. 20 participants
Language: German



The course will be held "digitally" / remotely. It consists of three blocks, each of should be completed within 2 weeks. The workload per block is approximately 2 days. Beyond interaction via Moodle and similar tools, we plan question/answer sessions for each block. There is no compulsory attendance, but each block should be completed within the assigned time slot. Further details to follow!

Tentative schedule:
Oct 5-16, Christoph Flamm
Oct 19-30, Peter Wolschann
Nov 2-13, Stefan Boresch


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

Attendance is compulsory; 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


Last modified: We 09.09.2020 18:34