715 アクチンフィラメント引張剛性の分子動力学シミュレーションによる評価(S07-2 マイクロ・ナノバイオメカニクス(2),S07 マイクロ・ナノバイオメカニクス)

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  • 715 Analysis of Stiffness for Actin Filament under Tensile Force Using Molecular Dynamics Simulation

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Biomechanical factors are considered as crucial modulating factors in dynamic actin polymerization and depolymerization. From this view, it is important to investigate mechanical behavior of actin filament under the influence of various mechanical condition induced by tensile force and structure deformation. The aim of this study is to investigate method of calculating stiffness of actin filament structure. For this purpose, we performed steered molecular dynamics (SMD) simulation in order to study molecular response based on a two-spring model connected in series. Using this method, we calculated stiffness of actin filament subject to tensile force along its longitudinal axis. The results showed that an elastic behavior was observed in elongation range of 0-0.12% actin filament consisting of 14 actin molecules and in this region stiffness for actin filament depended on tensile velocity. We estimated by extrapolation that the stiffness for 1-μm-long actin filament was 57.8 [pN/nm] under condition in which tensile force is applied slowly enough. The order of this simulation agreed with that of experimental results.

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