Lecture: Charles H. Chen, PhD candidate, Kings College London UK
17th of June 2019, 13:20, Room 645, NRICM, Taipei, TW
Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide.

11th Miniworkshop on Multiscale Simulations of Biological Systems
Spring 2020


Mechanisms of Function of Viral Membrane Proteins

We investigate the biophysical principles leading towards the generation of the structure and assembly of membrane proteins from viruses.

A combination of classical and coarse-grained molecular dynamics simulations, docking and statistical approaches is used to develop platform technologies which can be used for bioanalytical screening.

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 also adopted from NMR spectroscopy and X-ray crystallography.

The information derived, forms the basis for modeling and simulating aspects essential for the proteins to operate such as

self assembly

diffusion of ions and substrates

protein folding.

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