MM/GBSA binding free energy components (kcal/mol) for each protein–ligand complex. Values are mean ± SD from 50 ns of the MD simulations. More negative ΔTOTAL values indicate a stronger binding affinity.
收藏Figshare2026-02-20 更新2026-04-28 收录
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https://figshare.com/articles/dataset/_p_MM_GBSA_binding_free_energy_components_kcal_mol_for_each_protein_ligand_complex_Values_are_mean_SD_from_50_ns_of_the_MD_simulations_More_negative_TOTAL_values_indicate_a_stronger_binding_affinity_p_/31381613
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MM/GBSA binding free energy components (kcal/mol) for each protein–ligand complex. Values are mean ± SD from 50 ns of the MD simulations. More negative ΔTOTAL values indicate a stronger binding affinity.
创建时间：
2026-02-20
