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Journal Abstract Search

430 related items for PubMed ID: 16321110

  • 1. 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]

  • 2. Comparative study of generalized born models: Born radii and peptide folding.
    Zhu J, Alexov E, Honig B.
    J Phys Chem B; 2005 Feb 24; 109(7):3008-22. PubMed ID: 16851315
    [Abstract] [Full Text] [Related]

  • 3. Balancing simulation accuracy and efficiency with the Amber united atom force field.
    Hsieh MJ, Luo R.
    J Phys Chem B; 2010 Mar 04; 114(8):2886-93. PubMed ID: 20131885
    [Abstract] [Full Text] [Related]

  • 4. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H, Lu Z, Parks JM, Burger SK, Yang W.
    J Chem Phys; 2008 Jan 21; 128(3):034105. PubMed ID: 18205486
    [Abstract] [Full Text] [Related]

  • 5. Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm.
    Zhou R.
    J Mol Graph Model; 2004 May 21; 22(5):451-63. PubMed ID: 15099840
    [Abstract] [Full Text] [Related]

  • 6. Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.
    Olson MA, Feig M, Brooks CL.
    J Comput Chem; 2008 Apr 15; 29(5):820-31. PubMed ID: 17876760
    [Abstract] [Full Text] [Related]

  • 7. Density guided importance sampling: application to a reduced model of protein folding.
    Thomas GL, Sessions RB, Parker MJ.
    Bioinformatics; 2005 Jun 15; 21(12):2839-43. PubMed ID: 15802285
    [Abstract] [Full Text] [Related]

  • 8. Dissociation aided and side chain sampling enhanced Hamiltonian replica exchange.
    Mu Y.
    J Chem Phys; 2009 Apr 28; 130(16):164107. PubMed ID: 19405561
    [Abstract] [Full Text] [Related]

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  • 10. A targeted reweighting method for accelerating the exploration of high-dimensional configuration space.
    Cukier RI, Morillo M.
    J Chem Phys; 2005 Dec 15; 123(23):234908. PubMed ID: 16392950
    [Abstract] [Full Text] [Related]

  • 11. MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.
    Feig M, Karanicolas J, Brooks CL.
    J Mol Graph Model; 2004 May 15; 22(5):377-95. PubMed ID: 15099834
    [Abstract] [Full Text] [Related]

  • 12. Ab initio computational modeling of loops in G-protein-coupled receptors: lessons from the crystal structure of rhodopsin.
    Mehler EL, Hassan SA, Kortagere S, Weinstein H.
    Proteins; 2006 Aug 15; 64(3):673-90. PubMed ID: 16729264
    [Abstract] [Full Text] [Related]

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  • 14. 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]

  • 15. Simulated annealing coupled replica exchange molecular dynamics--an efficient conformational sampling method.
    Kannan S, Zacharias M.
    J Struct Biol; 2009 Jun 01; 166(3):288-94. PubMed ID: 19272454
    [Abstract] [Full Text] [Related]

  • 16. Monte Carlo sampling algorithm for searching a scale-transformed energy space of polypeptides.
    Nakamura H.
    J Comput Chem; 2002 Mar 01; 23(4):511-6. PubMed ID: 11908088
    [Abstract] [Full Text] [Related]

  • 17. Folding of small proteins using a single continuous potential.
    Kim SY, Lee J, Lee J.
    J Chem Phys; 2004 May 01; 120(17):8271-6. PubMed ID: 15267747
    [Abstract] [Full Text] [Related]

  • 18. Estimation of protein folding probability from equilibrium simulations.
    Rao F, Settanni G, Guarnera E, Caflisch A.
    J Chem Phys; 2005 May 08; 122(18):184901. PubMed ID: 15918759
    [Abstract] [Full Text] [Related]

  • 19. Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forces.
    Wen EZ, Hsieh MJ, Kollman PA, Luo R.
    J Mol Graph Model; 2004 May 08; 22(5):415-24. PubMed ID: 15099837
    [Abstract] [Full Text] [Related]

  • 20. Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method.
    Cheluvaraja S, Meirovitch H.
    J Chem Phys; 2006 Jul 14; 125(2):24905. PubMed ID: 16848609
    [Abstract] [Full Text] [Related]

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