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146 related items for PubMed ID: 34534891

  • 1. Molecular dynamics study of conformation transition from helix to sheet of Aβ42 peptide.
    Zhou M, Wen H, Lei H, Zhang T.
    J Mol Graph Model; 2021 Dec; 109():108027. PubMed ID: 34534891
    [Abstract] [Full Text] [Related]

  • 2. An α-helix mimetic oligopyridylamide, ADH-31, modulates Aβ42 monomer aggregation and destabilizes protofibril structures: insights from molecular dynamics simulations.
    Kaur A, Goyal D, Goyal B.
    Phys Chem Chem Phys; 2020 Dec 23; 22(48):28055-28073. PubMed ID: 33289734
    [Abstract] [Full Text] [Related]

  • 3. Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations.
    Shuaib S, Goyal B.
    J Biomol Struct Dyn; 2018 Feb 23; 36(3):663-678. PubMed ID: 28162045
    [Abstract] [Full Text] [Related]

  • 4. Modeling structural interconversion in Alzheimers' amyloid beta peptide with classical and intrinsically disordered protein force fields.
    Wu KY, Doan D, Medrano M, Chang CA.
    J Biomol Struct Dyn; 2022 Feb 23; 40(20):10005-10022. PubMed ID: 34152264
    [Abstract] [Full Text] [Related]

  • 5. Microsecond molecular dynamics simulation of Aβ42 and identification of a novel dual inhibitor of Aβ42 aggregation and BACE1 activity.
    Wang YY, Li L, Chen TT, Chen WY, Xu YC.
    Acta Pharmacol Sin; 2013 Sep 23; 34(9):1243-50. PubMed ID: 23770985
    [Abstract] [Full Text] [Related]

  • 6. Characterization of the Conformations of Amyloid Beta 42 in Solution That May Mediate Its Initial Hydrophobic Aggregation.
    Sonar K, Mancera RL.
    J Phys Chem B; 2022 Oct 13; 126(40):7916-7933. PubMed ID: 36179370
    [Abstract] [Full Text] [Related]

  • 7. Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer's disease: key insights from molecular dynamics simulations.
    Shuaib S, Saini RK, Goyal D, Goyal B.
    J Biomol Struct Dyn; 2020 Feb 13; 38(3):708-721. PubMed ID: 30821624
    [Abstract] [Full Text] [Related]

  • 8. Identification of a Novel Multifunctional Ligand for Simultaneous Inhibition of Amyloid-Beta (Aβ42) and Chelation of Zinc Metal Ion.
    Asadbegi M, Shamloo A.
    ACS Chem Neurosci; 2019 Nov 20; 10(11):4619-4632. PubMed ID: 31566950
    [Abstract] [Full Text] [Related]

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  • 10. Identification of new pentapeptides as potential inhibitors of amyloid-β42 aggregation using virtual screening and molecular dynamics simulations.
    Kaur A, Goyal B.
    J Mol Graph Model; 2023 Nov 20; 124():108558. PubMed ID: 37390790
    [Abstract] [Full Text] [Related]

  • 11. The structures of the E22Δ mutant-type amyloid-β alloforms and the impact of E22Δ mutation on the structures of the wild-type amyloid-β alloforms.
    Coskuner O, Wise-Scira O, Perry G, Kitahara T.
    ACS Chem Neurosci; 2013 Feb 20; 4(2):310-20. PubMed ID: 23421682
    [Abstract] [Full Text] [Related]

  • 12. Characterizing the structural and thermodynamic properties of Aβ42 and Aβ40.
    Lin Y, Im H, Diem LT, Ham S.
    Biochem Biophys Res Commun; 2019 Mar 12; 510(3):442-448. PubMed ID: 30722990
    [Abstract] [Full Text] [Related]

  • 13. Insights into the inhibitory mechanism of a resveratrol and clioquinol hybrid against Aβ42 aggregation and protofibril destabilization: A molecular dynamics simulation study.
    Saini RK, Shuaib S, Goyal D, Goyal B.
    J Biomol Struct Dyn; 2019 Aug 12; 37(12):3183-3197. PubMed ID: 30582723
    [Abstract] [Full Text] [Related]

  • 14. Impact of Au144 metal clusters on the structural and inhibitory mechanism of Aβ42 peptide: A theoretical approach.
    Saranya V, Shankar R, Gatasheh MK, Zehra S.
    Environ Res; 2022 Mar 12; 204(Pt A):111920. PubMed ID: 34464618
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  • 16. Simulation Study on Complex Conformations of Aβ42 Peptides on a GM1 Ganglioside-Containing Lipid Membrane.
    Vahed M, Neya S, Matsuzaki K, Hoshino T.
    Chem Pharm Bull (Tokyo); 2018 Mar 12; 66(2):170-177. PubMed ID: 29386468
    [Abstract] [Full Text] [Related]

  • 17. Zinc binding promotes greater hydrophobicity in Alzheimer's Aβ42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies.
    Boopathi S, Dinh Quoc Huy P, Gonzalez W, Theodorakis PE, Li MS.
    Proteins; 2020 Oct 12; 88(10):1285-1302. PubMed ID: 32419254
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  • 19. Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement.
    Mudedla SK, Murugan NA, Agren H.
    J Phys Chem B; 2018 Oct 25; 122(42):9654-9664. PubMed ID: 30253649
    [Abstract] [Full Text] [Related]

  • 20. Turning the structure of the Aβ42 peptide by different functionalized carbon nanotubes: a molecular dynamics simulation study.
    Wang J, Dong H, Leng T, Yu Y, Li Y.
    Phys Chem Chem Phys; 2022 Feb 16; 24(7):4270-4279. PubMed ID: 35107452
    [Abstract] [Full Text] [Related]

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