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Refined AI-predicted Models

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DataCite Commons2024-06-05 更新2024-08-19 收录
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https://springernature.figshare.com/articles/dataset/Refined_AI-predicted_Models/25679943/1
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This record is of the same structure as the relaxed AI-predicted models, however, it contains the refined version of the energy minimized (relaxed) structural models. Refinement includes, as described in the Methods section, the removal of low confidence regions with a pLDDT score below 70, and filtering for models with 10 or more amino acid residues remaining. These folders include, as individual PDB files, 39,484 refined AlphaFold 2 models, 39,748 refined OpenFold models, and 31,870 refined ESMFold models.

本数据集的结构与弛豫(relaxed)AI预测模型保持一致,但其收录的是经能量最小化(弛豫)处理后的结构模型的精修版本。正如方法章节所述,本次精修流程包括移除pLDDT(Predicted Local Distance Difference Test)评分低于70的低置信度区域,并筛选出剩余氨基酸残基数不少于10的模型。该数据集的文件夹以独立PDB(Protein Data Bank)文件的形式,收录了39,484个精修后的AlphaFold 2模型、39,748个精修后的OpenFold模型以及31,870个精修后的ESMFold模型。
提供机构:
figshare
创建时间:
2024-05-29
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