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R.WangY.KnorrD.PoirierC.et al

calcium magnesium

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For γ-Glu-FA, the following parameters with mixed CgenFF/ CHARMM36 atom types were assigned by homology and added to the CHARMM36 parameters file for proteins (parameters available at MD simulations of the Cagrilintide and rat-Amylin AMY3R structures The cryo-EM-derived models of Cagri:AMY 3 R:Gα s and rAmy:AMY 3 R:Gα s were superimposed with the PDB 6×18 OPM 44 to orient the receptor to the membrane and parameterized with the CHARMM36 43 force field