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Journal Abstract Search

219 related items for PubMed ID: 20025309

  • 1. New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling.
    Rowley CN, Woo TK.
    J Chem Phys; 2009 Dec 21; 131(23):234102. PubMed ID: 20025309
    [Abstract] [Full Text] [Related]

  • 2. Improved transition path sampling methods for simulation of rare events.
    Chopra M, Malshe R, Reddy AS, de Pablo JJ.
    J Chem Phys; 2008 Apr 14; 128(14):144104. PubMed ID: 18412420
    [Abstract] [Full Text] [Related]

  • 3. Generation of initial trajectories for transition path sampling of chemical reactions with ab initio molecular dynamics.
    Rowley CN, Woo TK.
    J Chem Phys; 2007 Jan 14; 126(2):024110. PubMed ID: 17228946
    [Abstract] [Full Text] [Related]

  • 4. Precision shooting: Sampling long transition pathways.
    Grünwald M, Dellago C, Geissler PL.
    J Chem Phys; 2008 Nov 21; 129(19):194101. PubMed ID: 19026039
    [Abstract] [Full Text] [Related]

  • 5. Path ensembles and path sampling in nonequilibrium stochastic systems.
    Harland B, Sun SX.
    J Chem Phys; 2007 Sep 14; 127(10):104103. PubMed ID: 17867733
    [Abstract] [Full Text] [Related]

  • 6. Selective sampling of transition paths.
    Fu X, Yang L, Gao YQ.
    J Chem Phys; 2007 Oct 21; 127(15):154106. PubMed ID: 17949131
    [Abstract] [Full Text] [Related]

  • 7. Monte Carlo simulations of biomolecules: The MC module in CHARMM.
    Hu J, Ma A, Dinner AR.
    J Comput Chem; 2006 Jan 30; 27(2):203-16. PubMed ID: 16323162
    [Abstract] [Full Text] [Related]

  • 8. Overcoming entropic barrier with coupled sampling at dual resolutions.
    Lwin TZ, Luo R.
    J Chem Phys; 2005 Nov 15; 123(19):194904. PubMed ID: 16321110
    [Abstract] [Full Text] [Related]

  • 9. From transition paths to transition states and rate coefficients.
    Hummer G.
    J Chem Phys; 2004 Jan 08; 120(2):516-23. PubMed ID: 15267886
    [Abstract] [Full Text] [Related]

  • 10. Efficient Monte Carlo trial moves for polypeptide simulations.
    Betancourt MR.
    J Chem Phys; 2005 Nov 01; 123(17):174905. PubMed ID: 16375567
    [Abstract] [Full Text] [Related]

  • 11. How enzyme dynamics helps catalyze a reaction in atomic detail: a transition path sampling study.
    Basner JE, Schwartz SD.
    J Am Chem Soc; 2005 Oct 12; 127(40):13822-31. PubMed ID: 16201803
    [Abstract] [Full Text] [Related]

  • 12. Transition path sampling of rare events by shooting from the top.
    Jung H, Okazaki KI, Hummer G.
    J Chem Phys; 2017 Oct 21; 147(15):152716. PubMed ID: 29055335
    [Abstract] [Full Text] [Related]

  • 13. Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles.
    Whitelam S, Geissler PL.
    J Chem Phys; 2007 Oct 21; 127(15):154101. PubMed ID: 17949126
    [Abstract] [Full Text] [Related]

  • 14. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y.
    J Mol Graph Model; 2004 May 21; 22(5):425-39. PubMed ID: 15099838
    [Abstract] [Full Text] [Related]

  • 15. Efficient chain moves for Monte Carlo simulations of a wormlike DNA model: excluded volume, supercoils, site juxtapositions, knots, and comparisons with random-flight and lattice models.
    Liu Z, Chan HS.
    J Chem Phys; 2008 Apr 14; 128(14):145104. PubMed ID: 18412482
    [Abstract] [Full Text] [Related]

  • 16. Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling.
    Borrero EE, Dellago C.
    J Chem Phys; 2010 Oct 07; 133(13):134112. PubMed ID: 20942528
    [Abstract] [Full Text] [Related]

  • 17. Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside.
    Dimelow RJ, Bryce RA, Masters AJ, Hillier IH, Burton NA.
    J Chem Phys; 2006 Mar 21; 124(11):114113. PubMed ID: 16555880
    [Abstract] [Full Text] [Related]

  • 18. Stochastic potential switching algorithm for Monte Carlo simulations of complex systems.
    Mak CH.
    J Chem Phys; 2005 Jun 01; 122(21):214110. PubMed ID: 15974731
    [Abstract] [Full Text] [Related]

  • 19. Dramatic performance enhancements for the FASTER optimization algorithm.
    Allen BD, Mayo SL.
    J Comput Chem; 2006 Jul 30; 27(10):1071-5. PubMed ID: 16685715
    [Abstract] [Full Text] [Related]

  • 20. Path integral hybrid Monte Carlo algorithm for correlated Bose fluids.
    Miura S, Tanaka J.
    J Chem Phys; 2004 Feb 01; 120(5):2160-8. PubMed ID: 15268354
    [Abstract] [Full Text] [Related]

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