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Journal Abstract Search

730 related items for PubMed ID: 29235155

  • 1. Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.
    Watts CR, Gregory A, Frisbie C, Lovas S.
    Proteins; 2018 Mar; 86(3):279-300. PubMed ID: 29235155
    [Abstract] [Full Text] [Related]

  • 2. Structural properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.
    Watts CR, Gregory AJ, Frisbie CP, Lovas S.
    Proteins; 2017 Jun; 85(6):1024-1045. PubMed ID: 28241387
    [Abstract] [Full Text] [Related]

  • 3. High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields.
    Man VH, Nguyen PH, Derreumaux P.
    J Phys Chem B; 2017 Jun 22; 121(24):5977-5987. PubMed ID: 28538095
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  • 4. Conformational Dynamics of Two Natively Unfolded Fragment Peptides: Comparison of the AMBER and CHARMM Force Fields.
    Chen W, Shi C, MacKerell AD, Shen J.
    J Phys Chem B; 2015 Jun 25; 119(25):7902-10. PubMed ID: 26020564
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  • 5. Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?
    Siwy CM, Lockhart C, Klimov DK.
    PLoS Comput Biol; 2017 Jan 25; 13(1):e1005314. PubMed ID: 28085875
    [Abstract] [Full Text] [Related]

  • 6. Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ(16-22) dimer and trimer.
    Nguyen PH, Li MS, Derreumaux P.
    Phys Chem Chem Phys; 2011 May 28; 13(20):9778-88. PubMed ID: 21487594
    [Abstract] [Full Text] [Related]

  • 7. Dimerization Mechanism of Alzheimer Aβ40 Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation.
    Nguyen PH, Sterpone F, Pouplana R, Derreumaux P, Campanera JM.
    J Phys Chem B; 2016 Dec 01; 120(47):12111-12126. PubMed ID: 27933940
    [Abstract] [Full Text] [Related]

  • 8. Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms.
    Sgourakis NG, Merced-Serrano M, Boutsidis C, Drineas P, Du Z, Wang C, Garcia AE.
    J Mol Biol; 2011 Jan 14; 405(2):570-83. PubMed ID: 21056574
    [Abstract] [Full Text] [Related]

  • 9. Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations.
    Cino EA, Choy WY, Karttunen M.
    J Chem Theory Comput; 2012 Aug 14; 8(8):2725-2740. PubMed ID: 22904695
    [Abstract] [Full Text] [Related]

  • 10. The inhibitory mechanism of a fullerene derivative against amyloid-β peptide aggregation: an atomistic simulation study.
    Sun Y, Qian Z, Wei G.
    Phys Chem Chem Phys; 2016 May 14; 18(18):12582-91. PubMed ID: 27091578
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  • 12. Microsecond simulations of mdm2 and its complex with p53 yield insight into force field accuracy and conformational dynamics.
    Pantelopulos GA, Mukherjee S, Voelz VA.
    Proteins; 2015 Sep 14; 83(9):1665-76. PubMed ID: 26138282
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  • 14. Conformational Preferences of an Intrinsically Disordered Protein Domain: A Case Study for Modern Force Fields.
    Gopal SM, Wingbermühle S, Schnatwinkel J, Juber S, Herrmann C, Schäfer LV.
    J Phys Chem B; 2021 Jan 14; 125(1):24-35. PubMed ID: 33382616
    [Abstract] [Full Text] [Related]

  • 15. 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 Jan 14; 40(20):10005-10022. PubMed ID: 34152264
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  • 20. Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations.
    Fawzi NL, Phillips AH, Ruscio JZ, Doucleff M, Wemmer DE, Head-Gordon T.
    J Am Chem Soc; 2008 May 14; 130(19):6145-58. PubMed ID: 18412346
    [Abstract] [Full Text] [Related]

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