Role of water molecules for binding inhibitors in the SH2 domain of Grb2: A molecular dynamics study
Keywords: میانگین انحراف مربع ریشه; Grb2 SH2; Molecular dynamics; Solvent effects; Water bridging; Ligand binding; Drug design; EGF-R; epidermal growth factor receptor; Grb2; growth factor receptor bound protein 2; IC50; concentration required for 50% inhibition; MAPK; mitogen-activated pro