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Journal Abstract Search

189 related items for PubMed ID: 15447615

  • 1. Monte Carlo simulations in generalized isobaric-isothermal ensembles.
    Okumura H, Okamoto Y.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2004 Aug; 70(2 Pt 2):026702. PubMed ID: 15447615
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  • 2. Multibaric-multithermal ensemble molecular dynamics simulations.
    Okumura H, Okamoto Y.
    J Comput Chem; 2006 Feb; 27(3):379-95. PubMed ID: 16381079
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  • 3. Molecular simulations by generalized-ensemble algorithms in isothermal-isobaric ensemble.
    Yamauchi M, Mori Y, Okumura H.
    Biophys Rev; 2019 Jun; 11(3):457-469. PubMed ID: 31115865
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  • 6. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y.
    J Mol Graph Model; 2004 May; 22(5):425-39. PubMed ID: 15099838
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  • 7. Configurational constant pressure molecular dynamics.
    Braga C, Travis KP.
    J Chem Phys; 2006 Mar 14; 124(10):104102. PubMed ID: 16542063
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  • 8. Ligand docking simulations by generalized-ensemble algorithms.
    Okamoto Y, Kokubo H, Tanaka T.
    Adv Protein Chem Struct Biol; 2013 Mar 14; 92():63-91. PubMed ID: 23954099
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  • 9. Generalized-ensemble algorithms for molecular simulations of biopolymers.
    Mitsutake A, Sugita Y, Okamoto Y.
    Biopolymers; 2001 Mar 14; 60(2):96-123. PubMed ID: 11455545
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  • 10. Systematic formulation of thermodynamic properties in the NpT ensemble.
    Ströker P, Hellmann R, Meier K.
    Phys Rev E; 2021 Feb 14; 103(2-1):023305. PubMed ID: 33736048
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  • 11. Using isothermal-isobaric Monte Carlo simulation to study the wetting behavior of model systems.
    Jain K, Rane KS, Errington JR.
    J Chem Phys; 2019 Feb 28; 150(8):084110. PubMed ID: 30823776
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  • 12. Monte Carlo simulation of the nematic-isotropic transition in an isothermal-isobaric ensemble.
    Pal A, Roy SK.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2004 Feb 28; 69(2 Pt 1):021709. PubMed ID: 14995471
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  • 13. Isobaric-isothermal monte carlo simulations from first principles: application to liquid water at ambient conditions.
    McGrath MJ, Siepmann JI, Kuo IF, Mundy CJ, VandeVondele J, Hutter J, Mohamed F, Krack M.
    Chemphyschem; 2005 Sep 05; 6(9):1894-901. PubMed ID: 16080220
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  • 18. Enhanced sampling algorithms.
    Mitsutake A, Mori Y, Okamoto Y.
    Methods Mol Biol; 2013 Sep 05; 924():153-95. PubMed ID: 23034749
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