BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:MD Simulations of NanoPores: From Membrane Proteins to Biomimetic 
 Design
DTSTART:20100921T111500
DTSTAMP:20260427T202707Z
UID:5c934039f0d324affec35d60e73ed2384b0bf2abea61dcccba4af9ee
CATEGORIES:Conferences - Seminars
DESCRIPTION:Nanopores in membranes are of biological and technological\nim
 portance\, e.g. in membrane transport in cells\; in biosensor design\, and
 \nwith possible application areas ranging from post-genomic medicine to\nd
 esalination. Molecular dynamics (MD) simulations in different modalities\n
 may be used to understand permeation and selectivity in biological\nnanopo
 res (channels). This will be illustrated via application to a phosphate\ns
 elective bacterial porin\, OprP. We have used free energy calculations to\
 ncharacterise the interactions of phosphate and of chloride ions with the 
 OprP\npore. Based on these results we wish to test our understanding via d
 esign\nof simplified nanopores with a comparable functionality. This study
  builds\nupon our earlier studies of water in simple model nanopores. Spec
 ifically\,\nthe question we address is whether we can generate a minimal d
 esign for an\nOprP-like nanopore. I will describe recent results in this a
 rea and discuss\nfuture perspectives for this approach
LOCATION:BSP/ CUBOTRON III
STATUS:CONFIRMED
END:VEVENT
END:VCALENDAR