Results for blind docking Tocriscreen 2.0 compounds against AlphaFold2 structural modules of human and parasite proteins
收藏NIAID Data Ecosystem2026-03-13 收录
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https://zenodo.org/record/6599608
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资源简介：
Docking (GNINA 1.0) of 1280 Tocriscreen 2.0 compounds against >4000 AlphaFold structures from humans and the parasitic nematode Brugia malayi.
Results are provided as Pickle objects or GZipped CSVs.
Tuned machine learning models (random forest and XGBoost) are also included for classifying actives/decoys.
创建时间：
2022-07-22
