Sbardella, Michele (2017) Supervised molecular dynamics: a new approach to unravel the molecular recognition pathway between tetragastrin and CCK receptors. [Laurea specialistica biennale]
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Gastrin is a hormone that regulates the gastric acid secretion and the proliferation of gastric parietal cells. Gastrin and CCK2 receptor are involved in cancer development. Supervised molecular Dynamics (SuMD) has been used to simulate the recognition mechanism between CCK2 receptor and tetragastrin. Crucial residues in the binding have been identified.
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