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Docking summary of 7HF and 3HF with 2DYH and 1DH3 proteins.

NIAID Data Ecosystem2026-03-10 收录

分子对接

药物靶点预测

数据链接：

https://figshare.com/articles/dataset/Docking_summary_of_7HF_and_3HF_with_2DYH_and_1DH3_proteins_/5138353 数据链接链接失效反馈

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资源简介：

Docking summary of 7HF and 3HF with 2DYH and 1DH3 proteins.

应用场景：

创建时间：

2017-06-23

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Docking scores and energy minimization of target proteins.

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Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.

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Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.

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PDBbind v.2013 core set manually curated to optimize the hydrogen bond network considering protein and ligand protonation states. The description of this dataset preparation is published in the follow

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Performance of different protein-ligand complex based approaches on the PDBBind datasets.

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结合亲和力

Performance of different protein-ligand complex based approaches on the PDBBind datasets.

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