894415 Instructional course IVA - molecular modelling

Exercise course
Semester hours
Lecturer (assistant)
Ludwig, Roland , Oostenbrink, Chris , Tscheließnig, Rupert
Institute of Molecular Modeling and Simulation (MMS)
Offered in
Sommersemester 2018
Languages of instruction


This course will be offered from February 19th to February 23rd, 2018.

An overview of the principles of biophysical descriptions of proteins in the context of biochemical engineering will be given using defined proteins/enzymes investigated in BioToP projects: structure and stability engineering and modelling; demonstration of complementarity between experimental (biospectroscopy, calorimetry) and computational approaches; concepts of molecular simulation and inhibitor design; useful computer programmes.

Objective (expected results of study and acquired competences)

Students will be trained in the principles of analysis and prediction of protein structure, prediction of the effects of protein engineering on protein structure, conformational stability and function. Knowledge of state-of-the-art concepts in molecular simulation of protein-ligand interactions and in silico design of inhibitors. Hands-on training in relevant computer programmes.
You can find more details like the schedule or information about exams on the course-page in BOKUonline.