Congratulations to Shu-I Lin,
winning the 3. Prize of the Master Thesis Competition in the Institute of Biophotonics.

Viruses and Cells - Computational Challenges and Approaches
6th - 7th of October 2017, Heidelberg University, Germany

9th Miniworkshop on Multiscale Simulations of Biological Systems
Spring 2018

     
Mechanisms of Function of Viral Membrane Proteins

We investigate the biophysical principles leading towards the mechanism of function of channel and pore forming membrane proteins from viruses.

We adopt computer simulations (classical and coarse-grained molecular dynamics simulations, docking approaches) and bilayer recordings in a combined approach.

With computational techniques we are seeking for molecular details about the mechanism of function of the proteins. We also develop simulation strategies and software (programming) to derive macroscopic quantities. Structural details for the computational investigations are adopted from spectroscopic techniques such as NMR, Fluorescence, X-Ray and FTIR. Functional and pharmacological data will be derived from bilayer recordings.

The information forms the basis for modeling and simulating aspects essential for the proteins to operate:

self assembly

diffusion of ions and substrates

protein folding

hydrogen bonding.

Our work supports novel developments in Antiviral Therapy and Nanomedicine.


BBA
ISSN: 0005-2736
Imprint: ELSEVIER
BBA
ISSN: 0005-2736
Imprint: ELSEVIER
EBJ
ISSN: 0175-7571
(print version)
ISSN: 1432-1017
(electronic version)
VMP
ISBN-10: 0306484951
Publisher: Springer