COMPARATIVE MODELING USING CRYOEM CONSTRAINTS

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 我们与加州大学旧金山分校Andrej Sali博士的团队的合作反映了从低温EM密度图获得的结构信息最大化的持续努力。最新的工作重点是开发一种迭代建模过程，在低温电磁密度图的背景下探索排列空间。在这样的工作中，可以制作和选择更精确的模型。从这些早期的演示中，我们制定了一个提高模型精度的计划，方法是将Modeler中的建模与低温电磁密度图更紧密地耦合起来，并扩展建模约束以包括密度图中注释的二级结构特征。这里的挑战在于整合多种类型的数据，以及整合用于结构确定、分析和建模的多个软件包。

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. Our collaboration with Dr. Andrej Sali's group at UCSF reflects ongoing efforts to maximize the structural information obtained from cryo-EM density maps. The latest work focuses on the development of an iterative modeling process that explores alignment space in the context of the cryo-EM density map. In such work, more accurate models can be made and selected for. From these early demonstrations, we have composed a plan to increase model accuracy by more tightly coupling model building in MODELLER to the cryo-EM density maps and extending the modeling constraints to include secondary structure features annotated in the density map. The challenge here is in the integration of multiple types of data as well as in the integration of multiple software packages for structure determination, analysis and modeling.