270004 UE Computational Course for Biol.Chemists (2023S)
Continuous assessment of course work
Labels
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).
- Registration is open from Fr 10.02.2023 14:00 to Su 26.02.2023 23:59
- Deregistration possible until Su 26.02.2023 23:59
Details
max. 20 participants
Language: German
Lecturers
Classes (iCal) - next class is marked with N
The course consists of three parts and will be held in part remotely and in part on site (details to follow; see also the Moodle site of the course)
6.3-17.3 Peter Wolschann (on site)20.3-31.3 Stefan Boresch (primarily remote, 2 meetings in person (will be recorded), see field 'Termine' above!)
17.4-28.4. Christoph Flamm (primarily remote, on March 17 and 24, 10-12 on-site introductory lectures)
- Tuesday 21.03. 16:00 - 17:30 Seminarraum 4 Institut Physikalische Chemie HP Währinger Straße 42
- Tuesday 28.03. 16:00 - 17:30 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
IMA I-1, BC-DAT I-1
Last modified: Fr 07.07.2023 13:27