Sriram Banigallapati is currently using molecular dynamics simulations to study the kinase domain of the protein kinase epidermal growth factor receptor (EGFR). The goal is to find allosteric inhibitor binding sites that could serve as alternatives to the orthosteric site (where ATP binds). Resistance to treatments has occurred in patients and this is sometimes due to "gatekeeper" mutations in the orthosteric site. Once found, the allosteric sites will be transformed into computational and physical models that will be open for anyone to use in designing inhibitors against EGFR and gastric cancer.
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