International Symposium on Viral Membrane Proteins
    5. -6. October 2012
    National Yang-Ming University, Taipei, Taiwan

    Large-scale computing resources have been granted at the NCHC
    for 2011-2012
    (National Center for High-Performance Computing).

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 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: