A multiscale model for multiple platelet aggregation in shear flow.

ABSTRACT: We developed a multiscale model for simulating aggregation of multiple, free-flowing platelets in low-intermediate shear viscous flow, in which aggregation is mediated by the interaction of α_IIbβ₃ receptors on the platelet membrane and fibrinogen (Fg). This multiscale model uses coarse grained molecular dynamics (CGMD) for platelets at the microscales and dissipative particle dynamics (DPD) for the shear flow at the macroscales, employing our hybrid aggregation force field for modeling molecular level receptor ligand bonds. We define an aggregation tensor and use it to quantify the molecular level contact characteristics between platelets in an aggregate. We perform numerical studies under different flow conditions for platelet doublets and triplets and evaluate the c

SUBMITTER: Gupta P 

PROVIDER: S-EPMC8274306 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature