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Journal Abstract Search

221 related items for PubMed ID: 31365132

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  • 3. Replica-Permutation Method with the Suwa-Todo Algorithm beyond the Replica-Exchange Method.
    Itoh SG, Okumura H.
    J Chem Theory Comput; 2013 Jan 08; 9(1):570-81. PubMed ID: 26589055
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  • 5. Hamiltonian replica-permutation method and its applications to an alanine dipeptide and amyloid-β(29-42) peptides.
    Itoh SG, Okumura H.
    J Comput Chem; 2013 Nov 05; 34(29):2493-7. PubMed ID: 23925979
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  • 7. Replica exchange molecular dynamics method for protein folding simulation.
    Zhou R.
    Methods Mol Biol; 2007 Nov 05; 350():205-23. PubMed ID: 16957325
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  • 9. Communication: Multiple atomistic force fields in a single enhanced sampling simulation.
    Hoang Viet M, Derreumaux P, Nguyen PH.
    J Chem Phys; 2015 Jul 14; 143(2):021101. PubMed ID: 26178083
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  • 10. Replica exchange with solute tempering: a method for sampling biological systems in explicit water.
    Liu P, Kim B, Friesner RA, Berne BJ.
    Proc Natl Acad Sci U S A; 2005 Sep 27; 102(39):13749-54. PubMed ID: 16172406
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  • 11. Generalized-ensemble algorithms for molecular simulations of biopolymers.
    Mitsutake A, Sugita Y, Okamoto Y.
    Biopolymers; 2001 Sep 27; 60(2):96-123. PubMed ID: 11455545
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  • 12. Error and efficiency of replica exchange molecular dynamics simulations.
    Rosta E, Hummer G.
    J Chem Phys; 2009 Oct 28; 131(16):165102. PubMed ID: 19894977
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  • 13. Faster protein folding using enhanced conformational sampling of molecular dynamics simulation.
    Kamberaj H.
    J Mol Graph Model; 2018 May 28; 81():32-49. PubMed ID: 29501958
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  • 14. Flexible selection of the solute region in replica exchange with solute tempering: Application to protein-folding simulations.
    Kamiya M, Sugita Y.
    J Chem Phys; 2018 Aug 21; 149(7):072304. PubMed ID: 30134668
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  • 16. Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent.
    Peter EK, Shea JE, Pivkin IV.
    Phys Chem Chem Phys; 2016 May 14; 18(18):13052-65. PubMed ID: 27111190
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  • 17. 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
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  • 19. 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
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  • 20. Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling.
    Wu X, Hodoscek M, Brooks BR.
    J Chem Phys; 2012 Jul 28; 137(4):044106. PubMed ID: 22852596
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