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Journal Abstract Search

253 related items for PubMed ID: 22852596

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. Force-momentum-based self-guided Langevin dynamics: a rapid sampling method that approaches the canonical ensemble.
    Wu X, Brooks BR.
    J Chem Phys; 2011 Nov 28; 135(20):204101. PubMed ID: 22128922
    [Abstract] [Full Text] [Related]

  • 3. Toward canonical ensemble distribution from self-guided Langevin dynamics simulation.
    Wu X, Brooks BR.
    J Chem Phys; 2011 Apr 07; 134(13):134108. PubMed ID: 21476744
    [Abstract] [Full Text] [Related]

  • 4. Protein Folding Simulations Combining Self-Guided Langevin Dynamics and Temperature-Based Replica Exchange.
    Lee MS, Olson MA.
    J Chem Theory Comput; 2010 Aug 10; 6(8):2477-87. PubMed ID: 26613500
    [Abstract] [Full Text] [Related]

  • 5. Self-guided Langevin dynamics via generalized Langevin equation.
    Wu X, Brooks BR, Vanden-Eijnden E.
    J Comput Chem; 2016 Mar 05; 37(6):595-601. PubMed ID: 26183423
    [Abstract] [Full Text] [Related]

  • 6. Reformulation of the self-guided molecular simulation method.
    Wu X, Brooks BR.
    J Chem Phys; 2020 Sep 07; 153(9):094112. PubMed ID: 32891108
    [Abstract] [Full Text] [Related]

  • 7. Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics.
    Wu X, Damjanovic A, Brooks BR.
    Adv Chem Phys; 2012 Jan 31; 150():255-326. PubMed ID: 23913991
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  • 13. MuSTAR MD: multi-scale sampling using temperature accelerated and replica exchange molecular dynamics.
    Yamamori Y, Kitao A.
    J Chem Phys; 2013 Oct 14; 139(14):145105. PubMed ID: 24116651
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  • 15. Coupling of replica exchange simulations to a non-Boltzmann structure reservoir.
    Roitberg AE, Okur A, Simmerling C.
    J Phys Chem B; 2007 Mar 15; 111(10):2415-8. PubMed ID: 17300191
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  • 16. 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]

  • 17. Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent.
    Periole X, Mark AE.
    J Chem Phys; 2007 Jan 07; 126(1):014903. PubMed ID: 17212515
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  • 18. Replica exchange simulation method using temperature and solvent viscosity.
    Nguyen PH.
    J Chem Phys; 2010 Apr 14; 132(14):144109. PubMed ID: 20405987
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  • 19. Adaptive conformational sampling based on replicas.
    Curuksu J.
    J Math Biol; 2012 May 14; 64(6):917-31. PubMed ID: 21656010
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  • 20. Enhanced sampling of peptide and protein conformations using replica exchange simulations with a peptide backbone biasing-potential.
    Kannan S, Zacharias M.
    Proteins; 2007 Feb 15; 66(3):697-706. PubMed ID: 17120231
    [Abstract] [Full Text] [Related]

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