[Mathmajors] Undergraduate Math Sciences Seminar: 25 October 2006

[J McLean Sloughter]

Date: Wednesday, 25 October, 12:30 pm

Place: Parrington 108

Title: A pinch of Verlet-velocity algorithm, a dash of Langevin dynamics: A
recipe for classical molecular dynamics

Speaker: Kim Gunnerson, PhC Physical Chemistry

Abstract:
The mechanism by which leukocytes leave the blood stream and enter inflamed
tissue is called extravasation.  This process is facilitated by the ability
of selectin proteins, produced by the endothelial cells of blood vessels, to
form transient bonds with the leukocytes.  In the case of P-selectin, the
protein bonds with P-selectin glycoprotein ligands (PSGL-1) produced by the
leukocyte.  Recent atomic force microscopy and flow chamber analyses of the
binding of P-selectin to PSGL-1 provide evidence for an unusual biphasic
catch-bond/slip-bond behavior in response to the strength of exerted force.
This biphasic process is not well-understood.  There are several theoretical
models for describing this phenomenon. These models use different profiles
for potential energy landscapes and how they change under forces.  We are
exploring these changes using molecular dynamics.  I will present
information about my research and specifically how my mathematical training
helps me in my research.

Seminar website:    http://www.ms.washington.edu/acmssem/
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