270274 UE Computer laboratory: Computersimulation of Biopolymeres (2018S)
Continuous assessment of course work
Labels
9.4. - 25.4.2018; 14:45 - 17:45 Währingerstaße 17 EG
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 Th 01.02.2018 08:00 to Th 15.03.2018 23:59
- Deregistration possible until Th 15.03.2018 23:59
Details
max. 10 participants
Language: German
Lecturers
Classes
9.4. - 25.4.2018; 14:45 - 17:45 Währingerstaße 17 EG
Information
Aims, contents and method of the course
From pdb file to CHARMM input; Manipulating structures and other aspects of the system with CHARMM. Computing energies, minimization. Introduction to molecular dynamics; analysis of trajectories -- comparison to experimental quantities; Overview of the "state of the art" (PME, NPT-simulations, GPU acceleration, ..); Setting up of a solvated systems; Final project (Setting up, carrying out and analysis of the simulation of a protein in water)
Assessment and permitted materials
Continuous evaluation of students' participation. Protocol describing final project
Minimum requirements and assessment criteria
Introduction to biomolecular simulation using the program CHARMM
Examination topics
Practical exercises using CHARMM
Reading list
siehe www.charmmtutorial.org
Association in the course directory
CHE II-7, MMB W-3, SHELL-Ergänzungsfach-Chemie, SHELL-Schwerpunkt-Chemie
Last modified: Sa 08.07.2023 00:22