Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations
Adolfo B. Poma, Trần Thị Minh Thu, Lam Tang Minh Tri, Hoang Linh Nguyen, Mai Suan Li
Abstract
oligomers. Namely, using a CG model, we showed that the Young modulus of tetramers is lower than that of fibrils and, as follows from the experiment, is about 1 GPa. Hydrogen bonds are the dominant contribution to the detachment of one chain from the Aβ fibril fragment. They tend to be more organized along the pulling direction, whereas in the Aβ tetramers no preference is observed.
Topics & Concepts
Molecular dynamicsFibrilDynamics (music)BiophysicsStability (learning theory)ChemistryChemical physicsPhysicsComputational chemistryComputer scienceBiologyMachine learningAcousticsProtein Structure and DynamicsLipid Membrane Structure and BehaviorSupramolecular Self-Assembly in Materials