PDBBind-Opt Dataset
收藏Figshare2025-01-15 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/PDBBind-Opt_Dataset/27428892/1
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资源简介：
This dataset contains optimized protein-ligand binding structures in PDBBind v2020.pdbbind_opt_poly.tar.gz: Structures for "polymer" ligands.pdbbind_opt_sm.tar.gz: Structures for "small molecule" ligands.pdbbind_opt_metadata.csv: Metadata for this dataset, including year, resolution, binding affinity annotationsREADME.md: Description of the structural dataset and columns in the metadata csv file<br>
提供机构：
Head-Gordon, Teresa; Sun, Kunyang; Guan, Xingyi; Wang, Yingze; Li, Jie; Zhang, Oufan; Bagni, Dorian
创建时间：
2025-01-15
