Biflavonoids, a unique group within the plant flavonoid family, consist of flavonoid dimers connected by either C-C or C-O-C bonds. Two new biflavonoids (2 R, 3 R) bis-3-O-galloyl-7,3′-dimethoxy dihyd

Figshare2026-02-02 更新10

Closed discovery: Mean and median ranks on the cancer discovery cases.

癌症靶点预测

药物发现评估

Closed discovery: Mean and median ranks on the cancer discovery cases.

Figshare2020-05-15 更新00

Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies

药物发现评估

配体效率

Physicochemical descriptors commonly used to define “drug-likeness” and ligand efficiency measures are assessed for their ability to differentiate marketed drugs from compounds reported to bind to the

NIAID Data Ecosystem30

Binding free energy, average binding potential energy, and solvation free energy (kcal/mol) of P1–14, C1, N1 and D1 calculated by M2.

分子结合自由能计算

药物发现评估

Binding free energy, average binding potential energy, and solvation free energy (kcal/mol) of P1–14, C1, N1 and D1 calculated by M2.

NIAID Data Ecosystem10