This subproject is one of many research subprojects utilizing theresources provided by a Center grant funded by NIH/NCRR. The subproject andinvestigator (PI) may have received primary funding from another NIH source,and thus could be represented in other CRISP entries. The institution listed isfor the Center, which is not necessarily the institution for the investigator.Multi-scale molecular simulation methods will be used to understand the mechanism behind antibody aggregation. This will be followed by designing ways to prevent such aggregation, thus enabling us to obtain stable, concentrated aqueous solutions of monoclonal antibodies useful in the treatment of cancer. The study also helps in understanding mechanism behind protein aggregation that cause type II diabetes and neurodegenerative diseases such as Alzheimers. Ultimately, we aim to develop a molecular simulation tool that can predict the mechanism for aggregation based on the antibody architecture. Gaining a detailed mechanistic understanding of aggregation will pave the way towards rational design of approaches for prevention of aggregation as opposed to the current trial and error approaches.
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