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Docking analysis of 10 reference compounds against human ABCC6 model in open wide conformation along with the binding free energy value (Kcal/mol) form Autodock and Autodock Vina.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Docking_analysis_of_10_reference_compounds_against_human_ABCC6_model_in_open_wide_conformation_along_with_the_binding_free_energy_value_Kcal_mol_form_Autodock_and_Autodock_Vina_/1118387
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The residues that contribute as H-bond donor or H-bond acceptor during interaction with substrate molecules are also shown along with their relative bond distance. SBS: substrate binding site; Conf.: Conformation.

在与底物分子相互作用过程中作为氢键供体(hydrogen bond donor)或氢键受体(hydrogen bond acceptor)的残基,及其相对键距也一并展示。其中,SBS为底物结合位点(substrate binding site);Conf.为构象(Conformation)。
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2015-12-02
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