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270004 UE Computational Course for Biol.Chemists (2022W)
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 Sa 10.09.2022 08:00 to We 28.09.2022 23:59
- Deregistration possible until We 28.09.2022 23:59
Details
max. 20 participants
Language: German
Lecturers
Classes
The course will be held mostly remotely (via Moodle / JupyterHub Server) from October till at the latest mid-November. Introductory lectures / possibilities for questions will be offered in person.
The course consists of 3 blocks, for which there are fixed deadlines. How you organize your work on the computer (via Moodle/JH) is up to you.The exact dates/deadlines for the three blocks (see below) will be communicated asap.Introduction Flamm (2 Units):
Mon October 3 2022 5pm-7pm SR3
Mon October 10 2022 5pm-7pm SR3
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