Relaxed AI-predicted Models with Ligands
收藏Figshare2024-06-05 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/Relaxed_AI-predicted_Models_with_Ligands/25679955/1
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资源简介：
The data record includes the native AI-predicted models, in which ligands were incorporated (as described in the Methods section), and which were energy minimized (relaxed) afterwards. The included subfolders contain, as individual PDB files, 15,566 ligand-containing relaxed AlphaFold 2 models, 15,487 ligand-containing relaxed OpenFold models, and 13,914 ligand-containing relaxed ESMFold models.
提供机构：
Gruber, Christian; Parigger, Lena; Sirelkhatim, Hassan; Hetmann, Michael; Krassnigg, Andreas; Gruber, Karl; Steinkellner, Georg; Stern, Abraham; Ruau, David
创建时间：
2024-05-29
