894002 Biomolecular modeling and simulation (in Eng.)

Vorlesung und Übung
Vortragende/r (Mitwirkende/r)
Mark, Alan Edward
Institut für Molekulare Modellierung und Simulation (MMS)
Angeboten im Semester
Wintersemester 2017/18
Unterrichts-/ Lehrsprachen


Theory and practice.
The course will include lectures/tutorials designed to provide an introduction into theoretical aspects underlying modern (bio)molecular) modelling and simulation techniques. These will be combined with extensive hands on computer sessions designed to provide an introduction into the practical aspects of performing and analyzing simulations. Participants will be encouraged to use techniques being presented to study their systems of interest. The course will also provide a productive environment for discussion with experts and fellow participants.


By the end of the course, participants will have received a comprehensive introduction to the methods and technologies used in biomolecular modelling and simulation.

Specifically, the course will cover:
particle simulation techniques | atomistic and coarse grained force-field development | searching conformational space | computation of free energy | treatment of electrostatic forces | calculation of experimentally measureable quantities from simulations | simulation of important biological systems.
Noch mehr Informationen zur Lehrveranstaltung, wie Termine oder Informationen zu Prüfungen, usw. finden Sie auf der Lehrveranstaltungsseite in BOKUonline.