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Journal Abstract Search

185 related items for PubMed ID: 18619879

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  • 2. 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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  • 4. Dissociation aided and side chain sampling enhanced Hamiltonian replica exchange.
    Mu Y.
    J Chem Phys; 2009 Apr 28; 130(16):164107. PubMed ID: 19405561
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  • 5. Simulated annealing coupled replica exchange molecular dynamics--an efficient conformational sampling method.
    Kannan S, Zacharias M.
    J Struct Biol; 2009 Jun 28; 166(3):288-94. PubMed ID: 19272454
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  • 6. A hybrid recursion method to robustly ensure convergence efficiencies in the simulated scaling based free energy simulations.
    Zheng L, Carbone IO, Lugovskoy A, Berg BA, Yang W.
    J Chem Phys; 2008 Jul 21; 129(3):034105. PubMed ID: 18647014
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  • 7. A selective integrated tempering method.
    Yang L, Qin Gao Y.
    J Chem Phys; 2009 Dec 07; 131(21):214109. PubMed ID: 19968339
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  • 8. Protein folding and unfolding by all-atom molecular dynamics simulations.
    Lei H, Duan Y.
    Methods Mol Biol; 2008 Dec 07; 443():277-95. PubMed ID: 18446293
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  • 12. ETNA: equilibrium transitions network and Arrhenius equation for extracting folding kinetics from REMD simulations.
    Muff S, Caflisch A.
    J Phys Chem B; 2009 Mar 12; 113(10):3218-26. PubMed ID: 19231819
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  • 15. All-atom replica exchange molecular simulation of protein BBL.
    Zhang J, Li W, Wang J, Qin M, Wang W.
    Proteins; 2008 Aug 15; 72(3):1038-47. PubMed ID: 18320591
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  • 16. Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method.
    Woo HJ.
    Methods Mol Biol; 2008 Aug 15; 443():109-20. PubMed ID: 18446284
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  • 17. Thermodynamics and folding pathways of trpzip2: an accelerated molecular dynamics simulation study.
    Yang L, Shao Q, Gao YQ.
    J Phys Chem B; 2009 Jan 22; 113(3):803-8. PubMed ID: 19113829
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  • 18. Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.
    Zheng L, Chen M, Yang W.
    J Chem Phys; 2009 Jun 21; 130(23):234105. PubMed ID: 19548709
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  • 19. Gibbs adsorption isotherm combined with Monte Carlo sampling to see action of cosolutes on protein folding.
    Harries D, Parsegian VA.
    Proteins; 2004 Nov 01; 57(2):311-21. PubMed ID: 15340918
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