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Introduction to Molecular Dynamic Simulations - Einzelansicht

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Veranstaltungsart Blockveranstaltung Kurztext A 024
Veranstaltungsnummer 340387 SWS 0.00
Semester WiSe 2021/22 Studienjahr
Erwartete Teilnehmer/-innen 20 Hyperlink
Turnus keine Übernahme
Credits 1.0
Sprache englisch

Zugeordnete Personen
Zugeordnete Personen Zuständigkeit
de Groot, Bert L., apl. Prof. Dr. verantwortlich
Grubmüller, Karl Helmut, Hon.-Prof. Dr. verantwortlich
Zuordnung zu Einrichtungen
Georg-August University School of Science (GAUSS) (für Mathematik und Naturwissenschaften)
Göttinger Graduiertenschule für Neurowissenschaften, Biophysik und molekulare Biowissenschaften (GGNB)

This one-day course will take place in groups of 2-3 students. Dates will be individually fixed (March 2022) after the corresponding Lecture has ended.

Molecular dynamics simulations are a method to describe the dynamics of macro-molecules such as proteins, lipids or synthetic polymers. The movement of every atom is calculated on a computer by numerically integrating Newton's equations of motion.


This course aims to introduce the fundamental methods to you. Therefore, you are going to simulate a short polymer chain, a "toy-model" that behaves similarly to a small protein. The steps necessary to set up a simulation system will be performed. Subsequently, you will be introduced to the analysis methods, e. g. the calculation of structural order parameters, interaction energies, and free energy profiles.



Requirement for registration to this course:

Previous participation in the corresponding lecture Theoretical and Computational Biophysics (A 143, winter term) or Biomolecular Physics and Simulations (A 170, summer term), both taking place on Mondays, 16:00-17:30 (currently online) is necessary.


The course can be held online or on site. Details on how the (online) course is organized will be announced in due time.

Access to the CIP-Pool of the Faculty of Physics is required, which can be organized upon request if not yet available.


Target group: GGNB and GAUSS doctoral students.


Die Veranstaltung wurde 1 mal im Vorlesungsverzeichnis WiSe 2021/22 gefunden: