APO Bind
收藏India Data2025-01-02 更新2026-05-16 收录
下载链接：
https://india-data.org/dataset-details/fa249d5a-508d-426c-9f3b-614bbbf6e2cc
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资源简介：
A dataset ligand unbound protein conformations for Machine Learning Applications in De Novo Drug Design. Ligand-free protein structure equivalents for 10,599 out of 16,608 protein-ligand complexes were obtained in the PDBbind v.2019 database with the purpose of enabling computation and large-scale validation of structure-based drug design methods on apo structures. This was done by mining the PDB database for apo protein structures with high sequence and structural alignment with proteins present in PDBbind.
提供机构：
Healthcare
创建时间：
2024-12-20
