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SUMMARY:High-throughput\, Multiscale modelling approaches for understandin
 g bacterial signalling - Benjamin Hall\, UCL
DTSTART:20120105T100000Z
DTEND:20120105T110000Z
UID:TALK34993@talks.cam.ac.uk
CONTACT:Microsoft Research Cambridge Talks Admins
DESCRIPTION:Bacterial chemoreceptor proteins respond to local nutrients an
 d toxins through binding events in receptor domains in the periplasm\, cau
 sing a conformational change which is propagated into the cell where it tr
 iggers a signalling event through downstream effectors and ultimately chan
 ges in bacterial motion. Though the biophysical mechanism of signalling th
 rough the membrane has been studied extensively through a range of approac
 hes\, including mutagenesis of the transmembrane region\, the precise mech
 anism is still unclear. Here I describe a novel high throughput approach t
 o molecular dynamics simulation of transmembrane helices in a bilayer\, wh
 ere the process of building\, running and analysing simulations across a c
 luster is entirely automated. Using this approach\, I have been able to id
 entify the role for small (0.15 nm) swinging-piston motions in carrying si
 gnals across the membrane. Alongside this\, I describe simulations of comp
 lete 22 nm chemoreceptor models in a range of realistic environments\, fro
 m model bilayers to 70 nm vesicles. Taken together\, these approaches allo
 w me to propose a mechanism of signal transduction across the membrane.
LOCATION:Large lecture theatre\, Microsoft Research Ltd\, 7 J J Thomson Av
 enue (Off Madingley Road)\, Cambridge
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