For -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:G s and rAmy:AMY 3 R:G s were superimposed with the PDB 618 OPM 44 to orient the receptor to the membrane and parameterized with the CHARMM36 43 force field
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[DOI] [PubMed] [Google Scholar] 150.Hood J.D., Bednarski M., Frausto R., Guccione S., Reisfeld R.A., Xiang R., Cheresh D.A