Effects of anthocyanidins on the conformational transition of Aβ(1-42) peptide: Insights from molecular docking and molecular dynamics simulations
Norzalina Zakaria, Wan Muhammad Rahmat Syazuli Wan Harun, Muhammad A. Latif, Siti Nor Ani Azaman, Mohd Basyaruddin Abdul Rahman, Nur Hana Faujan
Topics & Concepts
AnthocyanidinsChemistryMolecular dynamicsPeptideAnthocyanidinDocking (animal)BiophysicsStereochemistryProtein foldingBiochemistrySalt bridgeMutantComputational chemistryBiologyFlavonoidOrganic chemistryPigmentAntioxidantNursingGeneMedicineComputational Drug Discovery MethodsProtein Structure and DynamicsAlzheimer's disease research and treatments