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马铃薯:用于光学镊子数据批处理分析的自动化流水线。

POTATO: Automated pipeline for batch analysis of optical tweezers data.

机构信息

Helmholtz Institute for RNA-based Infection Research (HIRI), Würzburg, Germany.

Helmholtz Institute for RNA-based Infection Research (HIRI), Würzburg, Germany; Medical Faculty, Julius-Maximilians University Würzburg, Würzburg, Germany.

出版信息

Biophys J. 2022 Aug 2;121(15):2830-2839. doi: 10.1016/j.bpj.2022.06.030. Epub 2022 Jun 30.

Abstract

Optical tweezers are a single-molecule technique that allows probing of intra- and intermolecular interactions that govern complex biological processes involving molecular motors, protein-nucleic acid interactions, and protein/RNA folding. Recent developments in instrumentation eased and accelerated optical tweezers data acquisition, but analysis of the data remains challenging. Here, to enable high-throughput data analysis, we developed an automated python-based analysis pipeline called POTATO (practical optical tweezers analysis tool). POTATO automatically processes the high-frequency raw data generated by force-ramp experiments and identifies (un)folding events using predefined parameters. After segmentation of the force-distance trajectories at the identified (un)folding events, sections of the curve can be fitted independently to a worm-like chain and freely jointed chain models, and the work applied on the molecule can be calculated by numerical integration. Furthermore, the tool allows plotting of constant force data and fitting of the Gaussian distance distribution over time. All these features are wrapped in a user-friendly graphical interface, which allows researchers without programming knowledge to perform sophisticated data analysis.

摘要

光学镊子是一种单分子技术,可用于探测控制涉及分子马达、蛋白质-核酸相互作用和蛋白质/RNA 折叠等复杂生物过程的分子内和分子间相互作用。仪器仪表的最新发展简化并加速了光学镊子数据的获取,但数据分析仍然具有挑战性。在这里,为了实现高通量数据分析,我们开发了一种名为 POTATO(实用光学镊子分析工具)的基于 python 的自动化分析管道。POTATO 自动处理力斜坡实验产生的高频原始数据,并使用预定义参数识别(解)折叠事件。在识别出的(解)折叠事件处的力-距离轨迹分段后,可以将曲线的部分独立拟合到蠕虫链和自由连接链模型,并通过数值积分计算施加在分子上的功。此外,该工具允许绘制恒力数据并拟合随时间变化的高斯距离分布。所有这些功能都封装在一个用户友好的图形界面中,即使没有编程知识的研究人员也可以执行复杂的数据分析。

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