Coarse-Grain Modeling of Shear-Induced Binding between von Willebrand Factor and Collagen.

ABSTRACT: Von Willebrand factor (VWF) is a large multimeric protein that aids in blood clotting. Near injury sites, hydrodynamic force from increased blood flow elongates VWF, exposing binding sites for platelets and collagen. To investigate VWF binding to collagen that is exposed on injured arterial surfaces, Brownian dynamics simulations are performed with a coarse-grain molecular model. Accounting for hydrodynamic interactions in the presence of a stationary surface, shear flow conditions are modeled. Binding between beads in coarse-grain VWF and collagen sites on the surface is described via reversible ligand-receptor-type bond formation, which is governed via Bell model kinetics. For conditions in which binding is energetically favored, the model predicts a high probability for binding at low s

SUBMITTER: Wei W 

PROVIDER: S-EPMC5936976 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature