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A comprehensive database of verified experimental data on protein folding kinetics

机译:全面的蛋白质折叠动力学实验数据验证数据库

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摘要

Insights into protein folding rely increasingly on the synergy between experimental and theoretical approaches. Developing successful computational models requires access to experimental data of sufficient quantity and high quality. We compiled folding rate constants for what initially appeared to be 184 proteins from 15 published collections/web databases. To generate the highest confidence in the dataset, we verified the reported lnkf value and exact experimental construct and conditions from the original experimental report(s). The resulting comprehensive database of 126 verified entries, ACPro, will serve as a freely accessible resource () for the protein folding community to enable confident testing of predictive models. In addition, we provide a streamlined submission form for researchers to add new folding kinetics results, requiring specification of all the relevant experimental information according to the standards proposed in 2005 by the protein folding consortium organized by Plaxco. As the number and diversity of proteins whose folding kinetics are studied expands, our curated database will enable efficient and confident incorporation of new experimental results into a standardized collection. This database will support a more robust symbiosis between experiment and theory, leading ultimately to more rapid and accurate insights into protein folding, stability, and dynamics.
机译:对蛋白质折叠的见识越来越依赖于实验方法和理论方法之间的协同作用。开发成功的计算模型需要访问足够数量和高质量的实验数据。我们针对15种已发表的文献集/网络数据库中最初显示为184种蛋白质的分子折叠速率常数进行了编译。为了在数据集中产生最高的置信度,我们从原始实验报告中验证了所报告的lnkf值以及确切的实验构造和条件。由此产生的包含126个经过验证的条目的全面数据库ACPro,将作为蛋白质折叠社区的免费访问资源(),可以对预测模型进行可靠的测试。此外,我们还为研究人员提供了一种简化的提交表格,以增加新的折叠动力学结果,要求根据Plaxco组织的蛋白质折叠联合会在2005年提出的标准来规范所有相关的实验信息。随着研究折叠动力学的蛋白质数量和多样性的增加,我们精心挑选的数据库将使新的实验结果高效,可靠地纳入标准化的样本库中。该数据库将支持实验与理论之间更牢固的共生,最终导致对蛋白质折叠,稳定性和动力学的更快速,准确的见解。

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