Force spectroscopy of the thrombin-aptamer interaction: Comparison between AFM experiments and molecular dynamics simulations

Applied Surface Science(2019)

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摘要
•DFS experiment and MD simulation are combined to study thrombin-aptamer binding.•Multiple factors affecting force measurement are comprehensively elucidated.•Enhanced analytical techniques are employed to determine dissociation force quanta.•Dissociation force of the complex is lower than that of G-quadruplex breakdown.
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关键词
Dynamic force spectroscopy,Atomic force microscopy,Single energy barrier model,Molecular dynamics,Thrombin,Aptamer
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