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

8th Miniworkshop on Multiscale Simulations of Biological Systems
9th of June 2017, Academia Sinica, 1F Auditorium,
Interdisciplinary Research Building for Science and Technology (IRBST)

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 ab initio 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.

ISSN: 0005-2736

ISSN: 0005-2736
ISSN: 0175-7571
(print version)
ISSN: 1432-1017
(electronic version)
ISBN-10: 0306484951
Publisher: Springer