Theoretische und computergestützte Biophysik: (WS 2023/2024)


jeweils Montags, 16:00h, (HS3, / C.00.106, Physik)

Here you will find the course material for the practicals.


Practical 1 : Introduction to Molecular Dynamics.

Practical 2 : Molecular Dynamics simulations of proteins.

Practical 3 : Protein structure determination by x-ray crystallography and NMR.

Practical 4 a) : Sequence retrieval, alignment and phylogenetic trees.

Practical 4 b) : Introduction to protein structure prediction.

Practical 5 : Principal components analysis.

Practical 6 : Continuum Electrostatics Calculations.

Practical 7 : Mechanism of water permeation and proton blocking in Aquaporins.

Practical 6 : Introduction to Electronic Structure Calculations using MOLPRO

Practical 6 : Introduction to Electronic Structure Calculations using MOLPRO

Practical 7 : QM/MM calculations on thymine dimer repair -->

Lecture slides can be found on StudIP.


Bert de Groot / bgroot@gwdg.de Oct 30, 2023