Orientierungsmodul: Molecular dynamics simulation of biological membranes (OMA_Simulation)7.5 ECTS
(englische Bezeichnung: Simulation biologischer Membranen)
(Prüfungsordnungsmodul: Molecular dynamics simulation of biological membranes)

Lectures:

• • ILS-MA-B14: Molecular Dynamics Simulation of Biomembranes: Theory
    (Vorlesung, 2 SWS, Rainer Böckmann)
  • ILS-MA-B14: Molecular Dynamics Simulation of Biomembranes: Practice
    (Übung, 4 SWS, Rainer Böckmann et al., Mon, 14:00 - 18:00, CIP Biologie)

Inhalt:

Theory and Practice of Molecular Dynamics Simulations
Membranes:
Composition of biological membranes, structure, dynamics, asymmetry, spontaneous association of lipids to membranes, role of cholesterol, domain formation in membranes (‘lipid rafts’), protein-lipid interaction, receptor clustering
Theory:
physical interactions in MD simulations, Newton’s equations of motion, integration of equations of motion, temperature control in simulations, boundary conditions, static and dynamic properties in biomolecular systems
Practice (Computer Lab):
Introduction to Python, implementation of MD simulation in Python, programming of simple analysis tools, introduction into simulation of membrane systems (Gromacs package)

Lernziele und Kompetenzen:

The students are able to

• describe and explain standard methodologies in MD simulations

• possess profound knowledge in theory of biomolecular interactions

• learn the programming language Python

• acquire problem-oriented programming strategies using Python

• understand and explain molecular driving forces in domain formation of biomembranes
  

Literatur:

Daan Frenkel, Berend Smit: „Understanding Molecular Simulation“

Verwendbarkeit des Moduls / Einpassung in den Musterstudienplan:

1. Zell- und Molekularbiologie (Master of Science)
   (Po-Vers. 2019w | NatFak | Zell- und Molekularbiologie (Master of Science) | Orientierungsmodule | Biologische Orientierungsmodule | Molecular dynamics simulation of biological membranes)

Studien-/Prüfungsleistungen:

Molecular dynamics simulation of biological membranes (Prüfungsnummer: 22921)

Prüfungsleistung, mehrteilige Prüfung, Dauer (in Minuten): 30 Min., benotet, 7.5 ECTS

Anteil an der Berechnung der Modulnote: 100.0 %

weitere Erläuterungen:
Mündliche Prüfung (50%) + Protokoll (50%)

Erstablegung: SS 2021

1. Prüfer:

Rainer Böckmann

Termin: 19.07.2021, 10:00 Uhr, Ort: CIP Biologie (U1.131, Staudtstr.5, 91058 Erlangen)