270037 UE Laboratory Course: Computer Graphics and Molecular Modelling (2018W)
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 01.09.2018 08:00 to We 31.10.2018 12:00
- Deregistration possible until We 31.10.2018 12:00
Details
max. 10 participants
Language: German
Lecturers
Classes
08.01. - 24.1.2019
15:00 - 18:00
Ort wird noch bekannt gegeben.
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: Mo 08.10.2018 13:28
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).