GLYCAN ARRAY GUIDED DEVELOPMENT OF CARBOHYDRATE THREADING METHOD

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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.