HT Docking
收藏OpenXLab2026-04-18 收录
下载链接：
https://openxlab.org.cn/datasets/OpenDataLab/HT_Docking
下载链接
链接失效反馈官方服务：
资源简介：
HT Docking 是一个数据集，由 2 亿个 3D 复杂结构和 2D 结构评分组成，跨越 SARS-CoV-2 蛋白质组的 15 个受体或结合位点的 1300 万个“库存”分子。它用于研究蛋白质-配体对接的代理模型准确性。
应用场景：
提供机构：
OpenDataLab创建时间：
2022-08-16
相关数据集
HT Docking
HT Docking 是一个数据集，由 2 亿个 3D 复杂结构和 2D 结构评分组成，跨越 SARS-CoV-2 蛋白质组的 15 个受体或结合位点的 1300 万个“库存”分子。它用于研究蛋白质-配体对接的代理模型准确性。
OpenDataLab2026-07-05 更新160
The docked poses from the docking screens against the AlphaFold2 models of the σ2 and 5HT2A receptors
Though AlphaFold2 (AF2) models have had wide impact, they have had mixed success in retrospective ligand recognition. Here, we prospectively docked large libraries against unrefined AF2 models of the
NIAID Data Ecosystem10
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning MethodsA Case Study of Serotonin Receptors 5‑HT 6 and 5‑HT 7
Molecular docking, despite its undeniable usefulness in computer-aided drug design protocols and the increasing sophistication of tools used in the prediction of ligand–protein interaction energies, i
NIAID Data Ecosystem40
The docked poses from the docking screens against the AlphaFold2 models of the Ï2 and 5HT2A receptors
Though AlphaFold2 (AF2) models have had wide impact, they have had mixed success in retrospective ligand recognition. Here, we prospectively docked large libraries against unrefined AF2 models of the
DataONE2024-05-17 更新40
Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning MethodsA Case Study of Serotonin Receptors 5‑HT6 and 5‑HT7
Molecular docking, despite its undeniable usefulness in computer-aided drug design protocols and the increasing sophistication of tools used in the prediction of ligand–protein interaction energies, i
Figshare2016-02-13 更新10
