DocumentCode :
744073
Title :
Simulating an Actomyosin in Vitro Motility Assay: Toward the Rational Design of Actomyosin-Based Microtransporters
Author :
Ishigure, Yuki ; Nitta, Takahiro
Author_Institution :
Dept. of Math. & Design Eng., Gifu Univ., Gifu, Japan
Volume :
14
Issue :
6
fYear :
2015
Firstpage :
641
Lastpage :
648
Abstract :
We present a simulation study of an actomyosin in vitro motility assay. In vitro motility assays have served as an essential element facilitating the application of actomyosin in nanotechnology; such applications include biosensors and biocomputation. Although actomyosin in vitro motility assays have been extensively investigated, some ambiguities remain, as a result of the limited spatio-temporal resolution and unavoidable uncertainties associated with the experimental process. These ambiguities hamper the rational design of nanodevices for practical applications. Here, with the aim of moving toward a rational design process, we developed a 3D computer simulation method of an actomyosin in vitro motility assay, based 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, including data on the number of myosin motors actually binding to actin filaments, the mechanism responsible for the guiding of actin filaments by chemical edges, and the effect of the processivity of motor proteins on the guiding probabilities. The simulations presented here will be useful in interpreting experimental results, and also in designing future nanodevices integrated with myosin motors.
Keywords :
Brownian motion; biochemistry; biotransport; enzymes; molecular biophysics; probability; spatiotemporal phenomena; 3D computer simulation; ATP hydrolysis cycle; Brownian dynamics simulation; actin filaments; actomyosin in vitro motility assay; actomyosin-based microtransporters; biocomputation; biosensors; chemical edges; guiding probabilities; limited spatio-temporal resolution; myosin motors; nanodevices; nanotechnology; rational design; rational design process; Biological system modeling; Computational modeling; Fluctuations; Hidden Markov models; In vitro; Proteins; Substrates; Actin filament; biomedical engineering; bionanotechnology; biophysics; biosensors; microelectromechanical systems; myosin; nanobioscience; nanobiotechnology;
fLanguage :
English
Journal_Title :
NanoBioscience, IEEE Transactions on
Publisher :
ieee
ISSN :
1536-1241
Type :
jour
DOI :
10.1109/TNB.2015.2443373
Filename :
7127044
Link To Document :
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