Assessing interaction recovery of predicted protein-ligand poses
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/13843798
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资源简介：
We provide the following data:
PDB files containing protein structures from the PoseBusters dataset prepared with OpenEye's SPRUCE protein preparation software
SDF files containing the corresponding PoseBusters ligand in its crystal pose
This data is provided for the 256 PoseBuster targets used in our paper "Assessing interaction recovery of predicted protein-ligand poses" [1] with associated code at https://github.com/Exscientia/plif_validity.
References
[1] Errington D, Schneider C, Bouysset C, Dreyer FA, Assessing interaction recovery of predicted protein-ligand poses, arXiv; 2024. Available from: https://arxiv.org/abs/2409.20227
创建时间：
2024-10-02
