brd4-bd1 bound with ligand 138 Descriptor: (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 Autho

Protein Data Bank Japan2023-11-22 更新60

Universities of St Andrews, Dundee, Glasgow, and Aberdeen

结构生物学

药物设计

The Dundee/St Andrews/Glasgow/Aberdeen BAG research interests fall into two broad areas. Firstly, we use structural information to understand mechanisms of fundamental biological processes, protein en

DataCite Commons2024-06-17 更新50

Additional file 7 of The epitome of tailor-made short positively charged peptides against HCC via integrated pharmacology

药物设计

抗肿瘤肽模拟

Additional file 7: Table S7. The DFT parameters of two key SPCPs and three standard drugs.

Figshare2024-08-18 更新60

Discriminations of active from inactive HDAC8 inhibitors Part II: Bayesian classification study to find molecular fingerprints

药物设计

分子指纹识别

In continuation of our earlier work (Doi: 10.1080/07391102.2019.1661876), a statistically validated and robust Bayesian model was developed on a large diverse set of HDAC8 inhibitors. The training set

DataCite Commons2020-08-25 更新50