Oikonomou Efthymios, Juli Yannick, Kolan Rajkumar Reddy, Kern Linda, Gruber Thomas, Alzheimer Christian, Krauss Patrick, Maier Andreas, Huth Tobias
Institut für Physiologie und Pathophysiologie, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany.
Erlangen National High Performance Computing Center, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany.
Commun Chem. 2024 Nov 30;7(1):280. doi: 10.1038/s42004-024-01369-y.
The patch-clamp technique allows us to eavesdrop the gating behavior of individual ion channels with unprecedented temporal resolution. The signals arise from conformational changes of the channel protein as it makes rapid transitions between conducting and non-conducting states. However, unambiguous analysis of single-channel datasets is challenging given the inadvertently low signal-to-noise ratio as well as signal distortions caused by low-pass filtering. Ion channel kinetics are typically described using hidden Markov models (HMM), which allow conclusions on the inner workings of the protein. In this study, we present a Deep Learning approach for extracting models from single-channel recordings. Two-dimensional dwell-time histograms are computed from the idealized time series and are subsequently analyzed by two neural networks, that have been trained on simulated datasets, to determine the topology and the transition rates of the HMM. We show that this method is robust regarding noise and gating events beyond the corner frequency of the low-pass filter. In addition, we propose a method to evaluate the goodness of a predicted model by re-simulating the prediction. Finally, we tested the algorithm with data recorded on a patch-clamp setup. In principle, it meets the requirements for model extraction during an ongoing recording session in real-time.
膜片钳技术使我们能够以前所未有的时间分辨率窃听单个离子通道的门控行为。这些信号源于通道蛋白在导通和非导通状态之间快速转换时的构象变化。然而,鉴于无意中出现的低信噪比以及低通滤波导致的信号失真,对单通道数据集进行明确分析具有挑战性。离子通道动力学通常使用隐马尔可夫模型(HMM)来描述,该模型能够对蛋白质的内部运作得出结论。在本研究中,我们提出了一种从单通道记录中提取模型的深度学习方法。二维驻留时间直方图由理想化的时间序列计算得出,随后由两个在模拟数据集上训练过的神经网络进行分析,以确定HMM的拓扑结构和转换速率。我们表明,该方法对于低通滤波器截止频率之外的噪声和门控事件具有鲁棒性。此外,我们提出了一种通过重新模拟预测来评估预测模型优劣的方法。最后,我们用在膜片钳装置上记录的数据测试了该算法。原则上,它满足实时进行记录过程中模型提取的要求。