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143 related items for PubMed ID: 16965117

  • 1. Insight into the role of hydration on protein dynamics.
    Hamelberg D, Shen T, McCammon JA.
    J Chem Phys; 2006 Sep 07; 125(9):094905. PubMed ID: 16965117
    [Abstract] [Full Text] [Related]

  • 2. Relating kinetic rates and local energetic roughness by accelerated molecular-dynamics simulations.
    Hamelberg D, Shen T, Andrew McCammon J.
    J Chem Phys; 2005 Jun 22; 122(24):241103. PubMed ID: 16035738
    [Abstract] [Full Text] [Related]

  • 3. Langevin dynamics of peptides: the frictional dependence of isomerization rates of N-acetylalanyl-N'-methylamide.
    Loncharich RJ, Brooks BR, Pastor RW.
    Biopolymers; 1992 May 22; 32(5):523-35. PubMed ID: 1515543
    [Abstract] [Full Text] [Related]

  • 4. How protein surfaces induce anomalous dynamics of hydration water.
    Pizzitutti F, Marchi M, Sterpone F, Rossky PJ.
    J Phys Chem B; 2007 Jul 05; 111(26):7584-90. PubMed ID: 17564431
    [Abstract] [Full Text] [Related]

  • 5. Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.
    de Oliveira CA, Hamelberg D, McCammon JA.
    J Chem Phys; 2007 Nov 07; 127(17):175105. PubMed ID: 17994855
    [Abstract] [Full Text] [Related]

  • 6. Determination of protein surface hydration shell free energy of water motion: theoretical study and molecular dynamics simulation.
    Sheu SY, Yang DY.
    J Phys Chem B; 2010 Dec 16; 114(49):16558-66. PubMed ID: 21090707
    [Abstract] [Full Text] [Related]

  • 7. Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water.
    Yonezawa Y, Nakata K, Sakakura K, Takada T, Nakamura H.
    J Am Chem Soc; 2009 Apr 01; 131(12):4535-40. PubMed ID: 19267429
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  • 9. Effective stochastic dynamics on a protein folding energy landscape.
    Yang S, Onuchic JN, Levine H.
    J Chem Phys; 2006 Aug 07; 125(5):054910. PubMed ID: 16942260
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  • 12. Kinetics of the coil-to-helix transition on a rough energy landscape.
    Baumketner A, Shea JE.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Nov 07; 68(5 Pt 1):051901. PubMed ID: 14682814
    [Abstract] [Full Text] [Related]

  • 13. Distribution function implied dynamics versus residence times and correlations: solvation shells of myoglobin.
    Lounnas V, Pettitt BM.
    Proteins; 1994 Feb 07; 18(2):148-60. PubMed ID: 8159664
    [Abstract] [Full Text] [Related]

  • 14. Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.
    Chebaro Y, Dong X, Laghaei R, Derreumaux P, Mousseau N.
    J Phys Chem B; 2009 Jan 08; 113(1):267-74. PubMed ID: 19067549
    [Abstract] [Full Text] [Related]

  • 15. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
    [Abstract] [Full Text] [Related]

  • 16. Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales.
    Lin ST, Maiti PK, Goddard WA.
    J Phys Chem B; 2005 May 12; 109(18):8663-72. PubMed ID: 16852026
    [Abstract] [Full Text] [Related]

  • 17. A molecular dynamics study of the correlations between solvent-accessible surface, molecular volume, and folding state.
    Floriano WB, Domont GB, Nascimento MA.
    J Phys Chem B; 2007 Feb 22; 111(7):1893-9. PubMed ID: 17261064
    [Abstract] [Full Text] [Related]

  • 18. Langevin model of the temperature and hydration dependence of protein vibrational dynamics.
    Moritsugu K, Smith JC.
    J Phys Chem B; 2005 Jun 23; 109(24):12182-94. PubMed ID: 16852503
    [Abstract] [Full Text] [Related]

  • 19. Computational studies of liquid water and diluted water in carbon tetrachloride.
    Chang TM, Dang LX.
    J Phys Chem A; 2008 Feb 28; 112(8):1694-700. PubMed ID: 18232676
    [Abstract] [Full Text] [Related]

  • 20. Temperature-dependent mechanisms for the dynamics of protein-hydration waters: a molecular dynamics simulation study.
    Vogel M.
    J Phys Chem B; 2009 Jul 16; 113(28):9386-92. PubMed ID: 19548661
    [Abstract] [Full Text] [Related]

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