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Journal Abstract Search

220 related items for PubMed ID: 30250775

  • 1. Influence of various parameters in the replica-exchange molecular dynamics method: Number of replicas, replica-exchange frequency, and thermostat coupling time constant.
    Iwai R, Kasahara K, Takahashi T.
    Biophys Physicobiol; 2018; 15():165-172. PubMed ID: 30250775
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  • 2. On the use of a weak-coupling thermostat in replica-exchange molecular dynamics simulations.
    Lin Z, van Gunsteren WF.
    J Chem Phys; 2015 Jul 21; 143(3):034110. PubMed ID: 26203017
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  • 3. Improving the replica-exchange molecular-dynamics method for efficient sampling in the temperature space.
    Chen C, Xiao Y, Huang Y.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2015 May 21; 91(5):052708. PubMed ID: 26066200
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  • 13. Convergence of replica exchange molecular dynamics.
    Zhang W, Wu C, Duan Y.
    J Chem Phys; 2005 Oct 15; 123(15):154105. PubMed ID: 16252940
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  • 14. An improved replica-exchange sampling method: temperature intervals with global energy reassignment.
    Li X, O'Brien CP, Collier G, Vellore NA, Wang F, Latour RA, Bruce DA, Stuart SJ.
    J Chem Phys; 2007 Oct 28; 127(16):164116. PubMed ID: 17979328
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  • 16. Surface-Tension Replica-Exchange Molecular Dynamics Method for Enhanced Sampling of Biological Membrane Systems.
    Mori T, Jung J, Sugita Y.
    J Chem Theory Comput; 2013 Dec 10; 9(12):5629-40. PubMed ID: 26592297
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  • 17. Reordering hydrogen bonds using hamiltonian replica exchange enhances sampling of conformational changes in biomolecular systems.
    Vreede J, Wolf MG, de Leeuw SW, Bolhuis PG.
    J Phys Chem B; 2009 May 07; 113(18):6484-94. PubMed ID: 19358572
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  • 19. Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model.
    Okur A, Wickstrom L, Layten M, Geney R, Song K, Hornak V, Simmerling C.
    J Chem Theory Comput; 2006 Mar 07; 2(2):420-33. PubMed ID: 26626529
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