Plas-5k Initial Structures
收藏DataCite Commons2025-06-01 更新2024-08-18 收录
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https://figshare.com/articles/dataset/Plas-5k_Initial_Structures/19069595/1
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资源简介：
The 7zip file contains the initial structure of all the 5000 protein-ligand complexes in pdb format. For inorganic ligand the residue name is "LIG". For peptide ligand, the sequence will be bound by last OXT and 2nd last OXT atom. Also the water molecules and Na+ and Cl- ions were removed, as they will mostly be unnecessary for ML training and it will save storage space.
提供机构：
figshare
创建时间：
2022-07-27
