AKScore2
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/10596973
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资源简介：
This repository contains the training docked conformation data to train AK-Score2 model. The zip file contains the all near-native and conformational and cross-docked decoy complex structures. Decoy is divided into conformatinoal decoy of the native ligand, cross-docked decoy docked with other ligands in pdbbind v2020, and random-docked decoy generated randomly from the Enamin dataset. All decoy docking poses were created using AutoDock-GPU v1.5.3. In the case of AutoDock-GPU, the grid center was used as the center coordinate of the native ligand. The grid box size of AutoDock-GPU was used as 22.5 Å X 22.5 Å X 22.5 Å.
创建时间：
2024-02-02
