可药性
蛋白质数据库
蛋白质数据库
配体(生物化学)
数据库
蛋白质配体
人类疾病
计算生物学
蛋白质结构
药物发现
计算机科学
疾病
生物信息学
生物
医学
生物化学
基因
病理
受体
作者
Muchun Zhu,Xiaoping Song,Peng Chen,Wenyan Wang,Bing Wang
标识
DOI:10.1016/j.compbiolchem.2018.12.023
摘要
Protein-ligand complexes perform specific functions, most of which are related to human diseases. The database, called as human disease-related protein-ligand structures (dbHDPLS), collected 8833 structures which were extracted from protein data bank (PDB) and other related databases. The database is annotated with comprehensive information involving ligands and drugs, related human diseases and protein-ligand interaction information, with the information of protein structures. The database may be a reliable resource for structure-based drug target discoveries and druggability predictions of protein-ligand binding sites, drug-disease relationships based on protein-ligand complex structures. It can be publicly accessed at the website: http://DeepLearner.ahu.edu.cn/web/dbDPLS/.
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