High accuracy prediction of dipeptide angiotensin-converting enzyme (ACE) inhibitory activity by improving the credibility of the 3D-quantitative structure-activity relationship (3D-QSAR) model database and investigating inhibition mechanism
Qi Liu, Shan Shao, Jingyu Bao, Syed Jalil Shah, Shumin Yue, Xinqi Luan, Qing Liu, Linguang Xing, Zhongfeng Shi, Zhenxia Zhao, Zhenxia Zhao, Zhongxing Zhao, Zhongxing Zhao
Topics & Concepts
Quantitative structure–activity relationshipDipeptideChemistryDocking (animal)PeptideDatabaseComputational biologyComputer scienceStereochemistryBiochemistryBiologyMedicineNursingProtein Hydrolysis and Bioactive PeptidesComputational Drug Discovery MethodsChemical Synthesis and Analysis