MD Simulations of NanoPores: From Membrane Proteins to Biomimetic Design
Event details
| Date | 21.09.2010 |
| Hour | 11:15 |
| Location |
BSP/ CUBOTRON III
|
| Category | Conferences - Seminars |
Nanopores in membranes are of biological and technological
importance, e.g. in membrane transport in cells; in biosensor design, and
with possible application areas ranging from post-genomic medicine to
desalination. Molecular dynamics (MD) simulations in different modalities
may be used to understand permeation and selectivity in biological
nanopores (channels). This will be illustrated via application to a phosphate
selective bacterial porin, OprP. We have used free energy calculations to
characterise the interactions of phosphate and of chloride ions with the OprP
pore. Based on these results we wish to test our understanding via design
of simplified nanopores with a comparable functionality. This study builds
upon our earlier studies of water in simple model nanopores. Specifically,
the question we address is whether we can generate a minimal design for an
OprP-like nanopore. I will describe recent results in this area and discuss
future perspectives for this approach
Practical information
- General public
- Free
Contact
- Paolo De Los Rios ([email protected])