Specific interactions between tau protein and curcumin derivatives: Molecular docking and ab initio molecular orbital simulations
Riku Sato, Shivani Vohra, Shohei Yamamoto, Katsumi Suzuki, Karpov Pavel, Sergіy Shulga, Ya. B. Blume, Noriyuki Kurita
Topics & Concepts
Fragment molecular orbitalCurcuminMolecular mechanicsDocking (animal)Molecular orbitalAb initioChemistryMolecular modelComputational chemistryMolecular dynamicsComputational biologyStereochemistryMoleculeBiochemistryBiologyMedicineOrganic chemistryNursingAlzheimer's disease research and treatmentsCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery Methods