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301232 VO Computational Structural Biology (2021S)

3.00 ECTS (2.00 SWS), SPL 30 - Biologie


Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).


Language: English

Examination dates



Vorbesprechung: 3.3.21, 11.30 am via Zoom:


Meeting ID: 838 7560 4764
Passcode: 594564


Aims, contents and method of the course

Computational methods have become an indispensible part of modern structural biology and biophysics research. In this course, we will introduce the fundamentals of modeling of biological structures and their dynamics at the level of individual molecules and with the aid of physico-chemically realistic models. Topics include: principles of molecular dynamics and Monte Carlo simulations of biomolecules, development and application of force fields, treatment of solvent and electrostatics, computational techniques for the refinement of biomolecular structures, free-energy calculations and protein structure prediction

Assessment and permitted materials

Written exam

Minimum requirements and assessment criteria

a. Minimum requirements: at least 50% success; b.Assessment criteria: Performance on the oral exam - 1 (excellent)|90-100%; 2 (good): 75-89.99%; 3 (satisfactory): 60-74.99%; 4 (sufficient): 50-59.99%; 5 (insufficient): 0-49.99%

Examination topics

Contents of the lectures as given in the handouts and lecture notes.

Reading list

Dan Frenkel and Berend Smit: Understanding Molecular Simulation, ISBN ISBN: 9780122673511; Andrew Leach: Molecular Modeling, ISBN-13: 978-0582382107

Association in the course directory

MMB I-3, MMB I-4, MMB II-3, MMB II-4, MMEI III, PhD MB 1, PhD MB 2

Last modified: Th 01.07.2021 15:48