Identification of tuna protein-derived peptides as potent SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation
Zhipeng Yu, Ruotong Kan, Huizhuo Ji, Sijia Wu, Wenzhu Zhao, David Shuian, Jingbo Liu, Jianrong Li
Topics & Concepts
Docking (animal)ChemistryHydrogen bondPeptideHydrophobic effectVirtual screeningStereochemistryMolecular dynamicsBiochemistryMoleculeDrug discoveryOrganic chemistryComputational chemistryNursingMedicineComputational Drug Discovery MethodsProtein Hydrolysis and Bioactive PeptidesDiverse Scientific Research Studies