Results for blind docking Tocriscreen 2.0 compounds against AlphaFold2 structural modules of human and parasite proteins
收藏数据链接：
官方服务：
资源简介：
Docking (GNINA 1.0) of 1280 Tocriscreen 2.0 compounds against >4000 AlphaFold structures from humans and the parasitic nematode <em>Brugia malayi</em>. 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：
2022-07-21
