270004 UE Computational Course for Biol.Chemists (2021W)
Continuous assessment of course work
Labels
REMOTE
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 We 01.09.2021 08:00 to Su 26.09.2021 23:59
- Deregistration possible until Su 26.09.2021 23:59
Details
max. 20 participants
Language: German
Lecturers
Classes
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:beginning to mid October, Christoph Flamm
mid to end October, Peter Wolschann
end October to mid November, Stefan Boresch
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
Last modified: Sa 08.07.2023 00:21