GLYCAN ARRAY GUIDED DEVELOPMENT OF CARBOHYDRATE THREADING METHOD

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。 蛋白质-配体复合物的3D结构可以为实验人员提供用于点突变、药物开发和亲和力增强的有用靶标。 当复合物的3D模型不可用时，可能需要数年时间来制备、收集和分析复合物的晶体或NMR结构。 计算对接方法允许快速和廉价的结构解析与各种结构，可以建模。 虽然从对接中得到答案可能很快，但验证该答案仍然取决于实验洞察力。 该项目开发了一种方法，用于快速解释对接数据与聚糖阵列结合数据，并尝试使用独立的计算方法来验证对接时，只有稀疏的实验工作存在。 方法开发将开始使用抗体JAA-F11，该抗体与肿瘤细胞上发现的TF抗原结合。

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. 3D structures of protein-ligand complexes can provide experimentalists with useful targets for point mutations, drug development and affinity enhancement. When 3D models of complexes are unavailable, it can take years for crystal or NMR structures of complexes to be prepared, collected and analyzed. Computational docking methods allow for fast and cheap structure resolution with a variety of structures that can be modeled. While getting an answer from docking may be fast, validating that answer still depends on experimental insight. This project develops a method for fast interpretation of docking data with respect to Glycan Array binding data and attempts to validate docking using independent computation methods when only sparse experimental work exists. Method development will begin using an antibody, JAA-F11, that binds to the TF-antigen found on tumor cells.