Crystal Structures of Ask1-inhibitor Complexes Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINAS

Protein Data Bank Japan2023-12-20 更新70

Table_1_Exploring the mechanism of action of Xuanfei Baidu granule (XFBD) in the treatment of COVID-19 based on molecular docking and molecular dynamics.xlsx

中药抗COVID-19机制

药物设计

PurposeThe Corona Virus Disease 2019 (COVID-19) pandemic has become a challenge of world. The latest research has proved that Xuanfei Baidu granule (XFBD) significantly improved patient’s clinical sym

NIAID Data Ecosystem30

Energy values obtained in molecular docking calculations with survivin.

药物靶点对接

药物设计

Energy values obtained in molecular docking calculations with survivin.

NIAID Data Ecosystem80

Additional file 1 of QPHAR: quantitative pharmacophore activity relationship: method and validation

药物设计

药效团分析

Additional file 1. Metadata of all datasets used for CV studies with 20–80 split.

DataCite Commons2021-08-10 更新70