数据链接：
官方服务：
资源简介：
Molecular docking to discover natural molecules against COVID-19
应用场景：
创建时间：
2020-09-26
相关数据集
Crystal structure of SARS CoV2 main protease in complex with FSP007
Crystal structure of SARS CoV2 main protease in complex with FSP007
NIAID Data Ecosystem50
Compounds identification according to PubChem CID, name, and docking value of the top three compounds, as well as Favipiravir (control), with therapeutic uses.
Compounds identification according to PubChem CID, name, and docking value of the top three compounds, as well as Favipiravir (control), with therapeutic uses.
NIAID Data Ecosystem20
Structure-Based Design of Covalent SARS-CoV‑2 Papain-like Protease Inhibitors
The COVID-19 pandemic is caused by SARS-CoV-2, a highly transmissible and pathogenic RNA betacoronavirus. Like other RNA viruses, SARS-CoV-2 continues to evolve with or without drug selection pressure
Figshare2024-11-05 更新10
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939612.1 (hisE, Phosphoribosyl-ATP pyrophosphatase).
Compounds/Libraries name, MolDock scores and predicted hydrogen bonds for the selected molecules against NP_939612.1 (hisE, Phosphoribosyl-ATP pyrophosphatase).
NIAID Data Ecosystem40
Crystal structures of SARS-CoV-2 main protease screened against COVID Moonshot compounds by X-ray Crystallography at the XChem facility of Diamond Light Source
Bulk repositiory of structures of SARS-CoV-2 main protease in complex with COVID Moonshot inhibtor compounds
Zenodo2023-10-26 更新10
