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Brandon Richland, MD.

Force-field parameters for the covalent adduct were then generated with the Antechamber module, applying GAFF2 to the ligand moiety and ff19SB to the protein backbone, with ligand partial charges assigned using the AM1-BCC method

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The sirtuins and PARPs in tumorigenesis exhibit both oncogenic and tumor suppressor activity, which might be determined by their sublocalization and cell type (Fig