Unbinding of the streptavidin-biotin complex by atomic force microscopy: A hybrid simulation study

Jian Zhou, Luzheng Zhang, Yongsheng Leng, Heng Kwong Tsao, Yu Jane Sheng, Shaoyi Jiang

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

A hybrid molecular simulation technique, which combines molecular dynamics and continuum mechanics, was used to study the single-molecule unbinding force of a streptavidin-biotin complex. The hybrid method enables atomistic simulations of unbinding events at the millisecond time scale of atomic force microscopy (AFM) experiments. The logarithmic relationship between the unbinding force of the streptavidin-biotin complex and the loading rate (the product of cantilever spring constant and pulling velocity) in AFM experiments was confirmed by hybrid simulations. The unbinding forces, cantilever and tip positions, locations of energy barriers, and unbinding pathway were analyzed. Hybrid simulation results from this work not only interpret unbinding AFM experiments but also provide detailed molecular information not available in AFM experiments.

Original languageEnglish
Article number104905
JournalJournal of Chemical Physics
Volume125
Issue number10
DOIs
StatePublished - 2006

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