VIRTUAL FCS

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目及 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 荧光相关光谱（FCS）基于荧光颗粒在它们移动通过飞升观测体积时发射的光子的统计分析，提供关于分子的迁移率、浓度、分子复合物的组成、解离常数和反应动力学的定量信息。已建立的FCS理论预测光子到达时间的统计基于粒子的自由扩散，和粒子参与某些种类的反应。我们正在开发一种新的方法，参数优化使用虚拟FCS结合虚拟小区。基于每个物种的分子量，可以预测细胞质中的扩散系数。这些值可用于执行虚拟FCS仿真。通过整合来自多个物种的结果，可以计算模型的虚拟自相关函数。活细胞中虚拟自相关函数与实验FCS自相关函数的比较可用于优化模型中的参数。这代表了一个强大的全局方法，参数优化的虚拟小区。

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.