基于配体与受体结构的酪氨酸酶抑制剂定量构效关系分析

汤海峰^a,^b,^c, 崔凤超^a,^*, 刘伦洋^a,^c, 李云琦^a,^*

Insight into the Inhibitory Activities of Diverse Ligands for Tyrosinase Using Ligand- and Structure-based Approaches

Haifeng TANG^a,^b,^c, Fengchao CUI^a, Lunyang LIU^a,^c, Yunqi LI^a

能够形成强的残基-抑制剂作用(Δ E_vdw 或Δ E_ele >1.0 kcal/mol)的复合物数量对比分析(以范德华(Δ E_vdw)、静电作用(Δ E_ele)和总的自由能(Δ G_per-decomp)为例)