Structure of Mango II variant aptamer bound to T01-7M-B
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Structure of Mango II variant aptamer bound to T01-7M-B
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2025-10-08
相关数据集
D4_screen_table.csv.gz
Comma separated values with zincid, smiles, dock score (kcal/mol), heavy atom count for a docking calculation against the dopamine D4 receptor. To be published in nature: Lyu et. al.
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Docking interaction of all compounds Gastric (SNU-16) Gastric cancer (2BID) receptor.
Docking interaction of all compounds Gastric (SNU-16) Gastric cancer (2BID) receptor.
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P-values obtained in a Wilcoxon signed-rank test comparing the distribution of S(1), S(3), and S(5) values of AnnapuRNA and other docking programs.
Docking was performed using native conformation of a ligand as an input. Two-tailed p-values ≤ 0.05 are in bold. Data referenced in the main text are underlined.
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Interactions of each compound’s conformation with the highest binding affinity with the transcription domain of HNF-1α.
Interactions of each compound’s conformation with the highest binding affinity with the transcription domain of HNF-1α.
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Top hit interactions of MMP9 and GRP78 with ligands and their hydrogen bonds and several other interactions.
Top hit interactions of MMP9 and GRP78 with ligands and their hydrogen bonds and several other interactions.
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