VIRTUAL FCS

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目及 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 荧光相关光谱 (FCS) 基于荧光粒子在飞升观察体积中移动时发射的光子的统计分析，提供有关分子迁移率、浓度、分子复合物组成、解离常数和反应动力学的定量信息。 FCS 的既定理论根据粒子的自由扩散以及参与某些类型反应的粒子来预测光子到达时间的统计数据。我们正在开发一种使用虚拟 FCS 与虚拟单元结合进行参数优化的新方法。根据每个物种的分子质量，可以预测细胞质中的扩散系数。然后可以使用这些值执行虚拟 FCS 仿真。通过整合多个物种的结果，可以计算模型的虚拟自相关函数。虚拟自相关函数与活细胞中实验 FCS 自相关函数的比较可用于优化模型中的参数。这代表了虚拟单元中参数优化的强大全局方法。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Fluorescence correlation spectroscopy (FCS) based on statistical analysis of photons emitted by fluorescent particles as they move through a femtoliter observation volume provides quantitative information about mobility of molecules, concentration, composition of molecular complexes, dissociation constants, and reaction kinetics. The established theory of FCS predicts the statistics of photon arrival times based on free diffusion of particles, and particles involved in certain kinds of reactions. We are developing a new method for parameter optimization using virtual FCS in conjunction with Virtual Cell. Based on the molecular mass of each species the diffusion coefficient in the cytoplasm can be predicted. These values can then be used perform a virtual FCS simulation. By integrating the results from multiple species it is possible to calculate a virtual autocorrelation function for the model. Comparison of the virtual autocorrelation function to the experimental FCS autocorrelation function in live cells can be used to optimize parameters in the model. This represents a powerful global approach to parameter optimization in the Virtual Cell.