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

摘要: We present a simulation study of an actomyosin in vitro motility assay. In assays have served as essential element facilitating the application nanotechnology; such applications include biosensors and biocomputation. Although been extensively investigated, some ambiguities remain, result limited spatio-temporal resolution unavoidable uncertainties associated with experimental process. These hamper rational design nanodevices for practical applications. Here, aim moving toward process, we developed 3D computer method assay, based on Brownian dynamics simulation. The explicitly included ATP hydrolysis cycle myosin. was validated by reproduction previous results. More importantly, provided new insights that are difficult to obtain experimentally, including data number myosin motors actually binding actin filaments, mechanism responsible guiding filaments chemical edges, effect processivity motor proteins probabilities. simulations presented here will be useful interpreting results, also designing future integrated motors.