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
收藏Figshare2018-05-23 更新2026-04-08 收录
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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/6325667/3
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资源简介：
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>
提供机构：
Leo.Radom@Sydney.Edu.Au; Gmsandala@Gmail.Com; Luka.Bilic@Irb.Hr; Darko.Babic@Irb.Hr; Borislav.Kovacevic@Irb.Hr; Danijela.Baric@Irb.Hr; David.Matthew.Smith@Irb.Hr
创建时间：
2018-05-23
