PROJECT TITLE :

Simulating an Actomyosin in Vitro Motility Assay: Toward the Rational Design of Actomyosin-Based Microtransporters

ABSTRACT:

We tend to present a simulation study of an actomyosin in vitro motility assay. In vitro motility assays have served as an important component facilitating the application of actomyosin in nanotechnology; such applications embrace biosensors and biocomputation. Although actomyosin in vitro motility assays have been extensively investigated, some ambiguities remain, as a result of the restricted spatio-temporal resolution and unavoidable uncertainties related to the experimental method. These ambiguities hamper the rational style of nanodevices for sensible applications. Here, with the aim of moving toward a rational style process, we have a tendency to developed a 3D pc simulation methodology of an actomyosin in vitro motility assay, based mostly on a Brownian dynamics simulation. The simulation explicitly included the ATP hydrolysis cycle of myosin. The simulation was validated by the reproduction of previous experimental results. More importantly, the simulation provided new insights that are difficult to obtain experimentally, together with data on the quantity of myosin motors actually binding to actin filaments, the mechanism responsible for the guiding of actin filaments by chemical edges, and the result of the processivity of motor proteins on the guiding chances. The simulations presented here can be helpful in decoding experimental results, and additionally in designing future nanodevices integrated with myosin motors.


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