Reporting in the Biophysical Journal, a team of researchers from Lehigh University in Bethlehem, Pennsylvania, wrote that for the first time it is possible to quantitatively predict the blood flow conditions associated with the aberrant unraveling of the human blood protein von Willebrand factor (VWF). Using Weighted Ensemble, an enhanced sampling technique, together in with Brownian Dynamics simulations, they computed the globular-to-unraveled transition rate of VWF on timescales not possible with standard simulation methods. According to the EurekAlert! News brief, “the team's method may eventually help medical professionals better understand and potentially manipulate the complex flow conditions affecting the size distribution of vWF in their patients. This could lead to improved treatment of both acquired and hereditary vWD.”
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