Unveiling the inhibitory mechanism of peptidomimetic inhibitor against Aβ42 aggregation and protofibril disaggregation by molecular dynamics
Rajdeep Kaur, Rajneet Kaur Saini, Pritpal Singh, Bhupesh Goyal
Topics & Concepts
PeptidomimeticChemistryMolecular dynamicsMonomerBiophysicsFibrilMolecular modelStereochemistryDocking (animal)Salt bridgeBiochemistryComputational chemistryPeptideOrganic chemistryPolymerBiologyNursingGeneMutantMedicineAlzheimer's disease research and treatmentsComputational Drug Discovery MethodsProtein Structure and Dynamics