Atomic reconstruction of biomolecular structures from AFM images and quantitative validation of experimental data using simulated AFM scanning

Atomic reconstruction of biomolecular structures from AFM images and quantitative validation of experimental data using simulated AFM scanning
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利用 AFM 图像对生物分子结构进行原子重建,并使用模拟 AFM 扫描对实验数据进行定量验证

DOI:
10.1101/2021.06.27.450070
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发表时间:
2021
期刊:
bioRxiv
影响因子:
--
通讯作者:
Flechsig Holger
Flechsig Holger
中科院分区:
--
文献类型:
--
作者:
Amyot Romain;Marchesi Arin;Franz Clemens M;Casuso Ignacio;Flechsig Holger

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我们提供了BioAFMviewer-tool,我们以前开发的软件平台的扩展,用于模拟AFM扫描生物分子结构和动力学。重点是开发一个工具箱的方法,采用模拟AFM扫描与定量分析相结合,以促进分辨率有限的AFM图像的解释。关键的进步是自动化的拟合生物分子结构的实验AFM图像,这使得重建三维原子结构从AFM表面扫描。此外,提供了几种方法,详细分析和比较模拟和实验AFM图像的表面形貌。我们证明了所开发的工具在解释高速AFM观察蛋白质的适用性。该工具箱被实现到BioAFMviewer的多功能交互界面中,BioAFMviewer是一个免费软件包,可在www.bioafmviewer.com上获得。
We provide the BioAFMviewer-Toolbox, an extension of our previously developed software platform for simulated AFM scanning of biomolecular structures and dynamics. The focus was on developing a toolbox of methods which employ simulated AFM scanning combined with quantitative analysis to facilitate the interpretation of resolution-limited AFM images. The key advancement is the automatized fitting of biomolecular structures to experimental AFM images, which allows to reconstruct 3D atomistic structures from AFM surface scans. Moreover, several methods for detailed analysis and comparison of surface topographies in simulated and experimental AFM images are provided. We demonstrate the applicability of the developed tools in the interpretation of high-speed AFM observations of proteins. The toolbox is implemented into the versatile interactive interface of the BioAFMviewer, which is a free software package available at www.bioafmviewer.com.
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