Using all-atom simulations in explicit solvent to study aggregation of amphipathic peptides into amyloid-like fibrils
Sharareh Jalali, Yanxing Yang, Farbod Mahmoudinobar, Shaneen Singh, Bradley L. Nilsson, Cristiano L. Dias
Topics & Concepts
FibrilAmphiphileChemistryMolecular dynamicsPeptideHydrogen bondHydrophobic effectSolventAmino acidAmyloid fibrilStatic electricitySequence (biology)Peptide sequenceSide chainBiophysicsCrystallographyChemical physicsAmyloid βMoleculeComputational chemistryOrganic chemistryPolymerBiochemistryCopolymerEngineeringElectrical engineeringMedicinePathologyGeneDiseaseBiologySupramolecular Self-Assembly in MaterialsProtein Structure and DynamicsAlzheimer's disease research and treatments