Epstein Michael, Calderhead Ben, Girolami Mark A, Sivilotti Lucia G
Department of Mathematics, Imperial College London, London, UK; CoMPLEX, University College London, London, UK.
Department of Mathematics, Imperial College London, London, UK.
Biophys J. 2016 Jul 26;111(2):333-348. doi: 10.1016/j.bpj.2016.04.053.
The stochastic behavior of single ion channels is most often described as an aggregated continuous-time Markov process with discrete states. For ligand-gated channels each state can represent a different conformation of the channel protein or a different number of bound ligands. Single-channel recordings show only whether the channel is open or shut: states of equal conductance are aggregated, so transitions between them have to be inferred indirectly. The requirement to filter noise from the raw signal further complicates the modeling process, as it limits the time resolution of the data. The consequence of the reduced bandwidth is that openings or shuttings that are shorter than the resolution cannot be observed; these are known as missed events. Postulated models fitted using filtered data must therefore explicitly account for missed events to avoid bias in the estimation of rate parameters and therefore assess parameter identifiability accurately. In this article, we present the first, to our knowledge, Bayesian modeling of ion-channels with exact missed events correction. Bayesian analysis represents uncertain knowledge of the true value of model parameters by considering these parameters as random variables. This allows us to gain a full appreciation of parameter identifiability and uncertainty when estimating values for model parameters. However, Bayesian inference is particularly challenging in this context as the correction for missed events increases the computational complexity of the model likelihood. Nonetheless, we successfully implemented a two-step Markov chain Monte Carlo method that we called "BICME", which performs Bayesian inference in models of realistic complexity. The method is demonstrated on synthetic and real single-channel data from muscle nicotinic acetylcholine channels. We show that parameter uncertainty can be characterized more accurately than with maximum-likelihood methods. Our code for performing inference in these ion channel models is publicly available.
单离子通道的随机行为通常被描述为具有离散状态的聚合连续时间马尔可夫过程。对于配体门控通道,每个状态可以代表通道蛋白的不同构象或不同数量的结合配体。单通道记录仅显示通道是开放还是关闭:等电导状态被聚合在一起,因此它们之间的转换必须间接推断。从原始信号中滤除噪声的要求进一步使建模过程复杂化,因为它限制了数据的时间分辨率。带宽降低的结果是,短于分辨率的开放或关闭无法观察到;这些被称为漏检事件。因此,使用滤波后的数据拟合的假设模型必须明确考虑漏检事件,以避免速率参数估计中的偏差,从而准确评估参数可识别性。在本文中,据我们所知,我们首次提出了对离子通道进行贝叶斯建模并进行精确的漏检事件校正。贝叶斯分析通过将模型参数视为随机变量来表示对模型参数真实值的不确定知识。这使我们在估计模型参数值时能够全面了解参数可识别性和不确定性。然而,在这种情况下,贝叶斯推断特别具有挑战性,因为对漏检事件的校正增加了模型似然性的计算复杂性。尽管如此,我们成功实现了一种两步马尔可夫链蒙特卡罗方法,我们称之为“BICME”,它在具有实际复杂性的模型中执行贝叶斯推断。该方法在来自肌肉烟碱型乙酰胆碱通道的合成和真实单通道数据上得到了验证。我们表明,与最大似然方法相比,参数不确定性可以更准确地表征。我们在这些离子通道模型中进行推断的代码是公开可用的。