遇见数据集

Site contribution to the energy-optimized pharmacophores obtained from PDB complexes in bold from Table 1.

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Figshare2015-12-02 更新2026-04-29 收录
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Required and optional sites at the structure-based common pharmacophore are shown in bold and italics, respectively. The other sites are not part of the structure-based common pharmacophore. Data at the same raw for different PDB complexes indicate that the pharmacophore site is shared by these complexes.

基于结构的共同药效团(structure-based common pharmacophore)中的必需位点与可选位点分别以粗体与斜体标注。其余位点均不属于该基于结构的共同药效团。不同PDB(Protein Data Bank)复合物的同一行数据表明,这些复合物共享该药效团位点。

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2015-12-02
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