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PUBMED FOR HANDHELDS

Journal Abstract Search


163 related items for PubMed ID: 29147837

  • 1.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 2. Application of a Distance-Dependent Sigmoidal Dielectric Constant to the REMC/SAAP3D Simulations of Chignolin, Trp-Cage, and the G10q Mutant.
    Iwaoka M, Yoshida K, Shimosato T.
    Protein J; 2020 Oct; 39(5):402-410. PubMed ID: 33108545
    [Abstract] [Full Text] [Related]

  • 3. The SAAP force field: development of the single amino acid potentials for 20 proteinogenic amino acids and Monte Carlo molecular simulation for short peptides.
    Iwaoka M, Kimura N, Yosida D, Minezaki T.
    J Comput Chem; 2009 Oct; 30(13):2039-55. PubMed ID: 19140140
    [Abstract] [Full Text] [Related]

  • 4.
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  • 5. The SAAP force field. A simple approach to a new all-atom protein force field by using single amino acid potential (SAAP) functions in various solvents.
    Iwaoka M, Tomoda S.
    J Comput Chem; 2003 Jul 30; 24(10):1192-200. PubMed ID: 12820126
    [Abstract] [Full Text] [Related]

  • 6. Folding Kinetics and Volume Variation of the β-Hairpin Peptide Chignolin upon Ultrafast pH-Jumps.
    Amado D, Chaves OA, Cruz PF, Loureiro RJS, Almeida ZL, Jesus CSH, Serpa C, Brito RMM.
    J Phys Chem B; 2024 May 23; 128(20):4898-4910. PubMed ID: 38733339
    [Abstract] [Full Text] [Related]

  • 7. Understanding the roles of amino acid residues in tertiary structure formation of chignolin by using molecular dynamics simulation.
    Terada T, Satoh D, Mikawa T, Ito Y, Shimizu K.
    Proteins; 2008 Nov 15; 73(3):621-31. PubMed ID: 18473359
    [Abstract] [Full Text] [Related]

  • 8. A comparative study of two different force fields on structural and thermodynamics character of H1 peptide via molecular dynamics simulations.
    Cao Z, Wang J.
    J Biomol Struct Dyn; 2010 Apr 15; 27(5):651-61. PubMed ID: 20085382
    [Abstract] [Full Text] [Related]

  • 9. Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.
    Kührová P, De Simone A, Otyepka M, Best RB.
    Biophys J; 2012 Apr 18; 102(8):1897-906. PubMed ID: 22768946
    [Abstract] [Full Text] [Related]

  • 10. Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation.
    Ulmschneider JP, Jorgensen WL.
    J Am Chem Soc; 2004 Feb 18; 126(6):1849-57. PubMed ID: 14871118
    [Abstract] [Full Text] [Related]

  • 11. The CLN025 decapeptide retains a β-hairpin conformation in urea and guanidinium chloride.
    Hatfield MP, Murphy RF, Lovas S.
    J Phys Chem B; 2011 May 05; 115(17):4971-81. PubMed ID: 21480621
    [Abstract] [Full Text] [Related]

  • 12.
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  • 13. Monte Carlo simulations of beta-hairpin folding at constant temperature.
    Sung SS.
    Biophys J; 1999 Jan 05; 76(1 Pt 1):164-75. PubMed ID: 9876131
    [Abstract] [Full Text] [Related]

  • 14. Replica sub-permutation method for molecular dynamics and monte carlo simulations.
    Yamauchi M, Okumura H.
    J Comput Chem; 2019 Dec 05; 40(31):2694-2711. PubMed ID: 31365132
    [Abstract] [Full Text] [Related]

  • 15. Reversible folding simulation by hybrid Hamiltonian replica exchange.
    Xu W, Lai T, Yang Y, Mu Y.
    J Chem Phys; 2008 May 07; 128(17):175105. PubMed ID: 18465944
    [Abstract] [Full Text] [Related]

  • 16. Transformation of a design peptide between the α-helix and β-hairpin structures using a helix-strand replica-exchange molecular dynamics simulation.
    Okumura H, Itoh SG.
    Phys Chem Chem Phys; 2013 Sep 07; 15(33):13852-61. PubMed ID: 23839056
    [Abstract] [Full Text] [Related]

  • 17. Direct folding simulation of alpha-helices and beta-hairpins based on a single all-atom force field with an implicit solvation model.
    Jang S, Kim E, Pak Y.
    Proteins; 2007 Jan 01; 66(1):53-60. PubMed ID: 17063490
    [Abstract] [Full Text] [Related]

  • 18. Molecular dynamics simulations of a beta-hairpin fragment of protein G: balance between side-chain and backbone forces.
    Ma B, Nussinov R.
    J Mol Biol; 2000 Mar 03; 296(4):1091-104. PubMed ID: 10686106
    [Abstract] [Full Text] [Related]

  • 19. A Maximum-Likelihood Approach to Force-Field Calibration.
    Zaborowski B, Jagieła D, Czaplewski C, Hałabis A, Lewandowska A, Żmudzińska W, Ołdziej S, Karczyńska A, Omieczynski C, Wirecki T, Liwo A.
    J Chem Inf Model; 2015 Sep 28; 55(9):2050-70. PubMed ID: 26263302
    [Abstract] [Full Text] [Related]

  • 20. Determination of the conformation of folding initiation sites in proteins by computer simulation.
    Avbelj F, Moult J.
    Proteins; 1995 Oct 28; 23(2):129-41. PubMed ID: 8592695
    [Abstract] [Full Text] [Related]


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