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Iterative rounds of electron density fitting and refinement were completed using Coot 48 and Buster 49 , respectively

The unfolded protein response: controlling cell fate decisions under ER stress and beyond

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The coordinates and geometric restraints for each inhibitor were created from smiles using Grade 49 with the qm+mogul option

10.1071/FP08293 162 VelosoJ.van KanJ