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Constructing conformational library for amyloid-β42 dimers as the smallest toxic oligomers using two CHARMM force fields

Maryam Haji Dehabadi, Rohoullah Firouzi

2022Journal of Molecular Graphics and Modelling10 citationsDOI

Topics & Concepts

Force field (fiction)ChemistryMolecular dynamicsDrug discoveryCircular dichroismDimerAmyloid βComputational chemistryCrystallographyComputer scienceBiochemistryOrganic chemistryArtificial intelligencePathologyMedicineDiseaseAlzheimer's disease research and treatmentsComputational Drug Discovery MethodsProtein Structure and Dynamics
Constructing conformational library for amyloid-β42 dimers as the smallest toxic oligomers using two CHARMM force fields | Litcius