Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment (RECETOX), Faculty of Science, Masaryk University, Brno, Czech Republic.
International Centre for Clinical Research, St. Anne's University Hospital Brno, Brno, Czech Republic.
Nucleic Acids Res. 2018 Jul 2;46(W1):W344-W349. doi: 10.1093/nar/gky358.
Despite significant advances in the understanding of protein structure-function relationships, revealing protein folding pathways still poses a challenge due to a limited number of relevant experimental tools. Widely-used experimental techniques, such as calorimetry or spectroscopy, critically depend on a proper data analysis. Currently, there are only separate data analysis tools available for each type of experiment with a limited model selection. To address this problem, we have developed the CalFitter web server to be a unified platform for comprehensive data fitting and analysis of protein thermal denaturation data. The server allows simultaneous global data fitting using any combination of input data types and offers 12 protein unfolding pathway models for selection, including irreversible transitions often missing from other tools. The data fitting produces optimal parameter values, their confidence intervals, and statistical information to define unfolding pathways. The server provides an interactive and easy-to-use interface that allows users to directly analyse input datasets and simulate modelled output based on the model parameters. CalFitter web server is available free at https://loschmidt.chemi.muni.cz/calfitter/.
尽管在理解蛋白质结构-功能关系方面取得了重大进展，但由于相关实验工具的数量有限，揭示蛋白质折叠途径仍然是一个挑战。广泛使用的实验技术，如量热法或光谱法，严重依赖于适当的数据分析。目前，每种类型的实验都只有单独的数据分析工具可用，模型选择也有限。为了解决这个问题，我们开发了 CalFitter 网络服务器，作为一个用于综合数据拟合和分析蛋白质热变性数据的统一平台。该服务器允许使用任何输入数据类型的组合进行全局数据拟合，并提供 12 种蛋白质展开途径模型供选择，其中包括其他工具中经常缺少的不可逆转变。数据拟合会生成最佳参数值、置信区间和统计信息，以定义展开途径。该服务器提供了一个交互和易于使用的界面，允许用户直接分析输入数据集，并根据模型参数模拟建模输出。CalFitter 网络服务器可在 https://loschmidt.chemi.muni.cz/calfitter/ 免费使用。
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