270037 UE Laboratory Course: Computer Graphics and Molecular Modelling (2020W)
Continuous assessment of course work
Labels
Begleitender Besuch der VO 270073 Computergrafik und Molekulare Modellierung dringendst empfohlen!
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 Tu 01.09.2020 08:00 to Fr 25.09.2020 23:59
- Deregistration possible until Fr 25.09.2020 23:59
Details
max. 15 participants
Language: German
Lecturers
Classes
The course will be held remotely during a period of 6 weeks, starting end of November. There are no fixed course times, so you can work through the course material at your own pace. The raw working time is approximately 10-12 half-days. In addition to smaller exercises, there will be a final task, for which a protocal has to be handed in. Ideally, participants will complete the course by Jan 15, 2021.
Question/Answer sessions and time slots on high end graphics machines in our lab will be scheduled (on demand) during the actual course (end of November 2020 to mid-January 2021)
Information
Aims, contents and method of the course
Assessment and permitted materials
Grading: Continuous evaluation of participation in the course, combined with the protocol to be handed in at the end of the course.
Minimum requirements and assessment criteria
Students know how to use molecular graphics programs to visualize information about a protein and to
explore differences in related structures. Basic concepts
of molecular mechanics calculations are used to complement structure based techniques.
explore differences in related structures. Basic concepts
of molecular mechanics calculations are used to complement structure based techniques.
Examination topics
Practical work at the computer
Reading list
Association in the course directory
TC-3, M205, M206, CHE II-6, CHE II-7
Last modified: Th 01.10.2020 09:10
Introduction to molecular graphics programs using VMD. Comparison of NMR and X-Ray structure of a protein.
Quantifying structural differences (RMSD, Secondary Structure
Assignment, hydrogen bond networks...). Introduction to some
of the advanced functions of VMD. "Nice"
representations of protein structures and movie making. A first introduction
into molecular mechanics calculations (CHARMM). Thereby, a focal point
is the correct set up of the system (adding missing coordinates, protonation
state of side chains in the protein and of the ligand).Study aids: are handed out during the course (mostly in English, some in German).