Geometries (PDB files) of the model systems atomic Cartesian coordinates associated with all steps in catalytic mechanism of B12-dependent and independent glycerol dehydratase (GDH) calculated using QM/MM method
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https://figshare.com/articles/Geometries_PDB_files_of_the_model_systems_atomic_Cartesian_coordinates_associated_with_all_steps_in_catalytic_mechanism_of_B12-dependent_and_independent_glycerol_dehydratase_GDH_calculated_using_QM_MM_method/6325667/2
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We provide PDBs with Cartesian coordinates of all steps including enzyme geometries of reactants, transition states, intermediates and products calculated with QM/MM using model systems of B12-dependent and independent GDH.<br>All folders and PDB files within are titled in a way that one can easily associate geometries with figures from SI that follows the corresponding manuscript.<br>
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figshare
创建时间：
2018-05-23
