These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

198 related items for PubMed ID: 15268408

  • 1. Estimating entropies from molecular dynamics simulations.
    Peter C, Oostenbrink C, van Dorp A, van Gunsteren WF.
    J Chem Phys; 2004 Feb 08; 120(6):2652-61. PubMed ID: 15268408
    [Abstract] [Full Text] [Related]

  • 2. Calculation of the aqueous solvation energy and entropy, as well as free energy, of simple polar solutes.
    Wan S, Stote RH, Karplus M.
    J Chem Phys; 2004 Nov 15; 121(19):9539-48. PubMed ID: 15538876
    [Abstract] [Full Text] [Related]

  • 3. Calculations of solute and solvent entropies from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    Phys Chem Chem Phys; 2006 Dec 14; 8(46):5385-95. PubMed ID: 17119645
    [Abstract] [Full Text] [Related]

  • 4. Confusing cause and effect: energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures.
    Ozal TA, van der Vegt NF.
    J Phys Chem B; 2006 Jun 22; 110(24):12104-12. PubMed ID: 16800523
    [Abstract] [Full Text] [Related]

  • 5. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.
    Lin ST, Maiti PK, Goddard WA.
    J Phys Chem B; 2010 Jun 24; 114(24):8191-8. PubMed ID: 20504009
    [Abstract] [Full Text] [Related]

  • 6. On the choice of a reference state for one-step perturbation calculations between polar and nonpolar molecules in a polar environment.
    Lin Z, van Gunsteren WF.
    J Comput Chem; 2013 Feb 15; 34(5):387-93. PubMed ID: 23081811
    [Abstract] [Full Text] [Related]

  • 7. Absolute hydration entropies of alkali metal ions from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    J Phys Chem B; 2009 Jul 30; 113(30):10255-60. PubMed ID: 19580304
    [Abstract] [Full Text] [Related]

  • 8. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP, van Gunsteren WF.
    J Phys Chem B; 2007 Jun 14; 111(23):6425-36. PubMed ID: 17508737
    [Abstract] [Full Text] [Related]

  • 9. Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations.
    Deng Y, Roux B.
    J Chem Phys; 2008 Mar 21; 128(11):115103. PubMed ID: 18361618
    [Abstract] [Full Text] [Related]

  • 10. Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation.
    LeBard DN, Matyushov DV.
    J Chem Phys; 2008 Apr 21; 128(15):155106. PubMed ID: 18433287
    [Abstract] [Full Text] [Related]

  • 11. Estimation of absolute solvent and solvation shell entropies via permutation reduction.
    Reinhard F, Grubmüller H.
    J Chem Phys; 2007 Jan 07; 126(1):014102. PubMed ID: 17212485
    [Abstract] [Full Text] [Related]

  • 12. The nature of the free energy barriers to two-state folding.
    Akmal A, Muñoz V.
    Proteins; 2004 Oct 01; 57(1):142-52. PubMed ID: 15326600
    [Abstract] [Full Text] [Related]

  • 13. Calculation of free-energy differences and potentials of mean force by a multi-energy gap method.
    Zhou HX.
    J Chem Phys; 2008 Mar 21; 128(11):114104. PubMed ID: 18361551
    [Abstract] [Full Text] [Related]

  • 14. Suitability of umbrella- and overlap-sampling methods for calculation of solid-phase free energies by molecular simulation.
    Tan TB, Schultz AJ, Kofke DA.
    J Chem Phys; 2010 Jun 07; 132(21):214103. PubMed ID: 20528014
    [Abstract] [Full Text] [Related]

  • 15. Rational design of ion force fields based on thermodynamic solvation properties.
    Horinek D, Mamatkulov SI, Netz RR.
    J Chem Phys; 2009 Mar 28; 130(12):124507. PubMed ID: 19334851
    [Abstract] [Full Text] [Related]

  • 16. A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations.
    Lorenzo L, Mosquera RA.
    J Comput Chem; 2003 Apr 30; 24(6):707-13. PubMed ID: 12666162
    [Abstract] [Full Text] [Related]

  • 17.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 18. Hydrogen bonds in membrane proteins.
    Sheu SY, Schlag EW, Selzle HL, Yang DY.
    J Phys Chem B; 2009 Apr 16; 113(15):5318-26. PubMed ID: 19354309
    [Abstract] [Full Text] [Related]

  • 19. A quantum chemical approach to the free energy calculations in condensed systems: the QM/MM method combined with the theory of energy representation.
    Takahashi H, Matubayasi N, Nakahara M, Nitta T.
    J Chem Phys; 2004 Sep 01; 121(9):3989-99. PubMed ID: 15332945
    [Abstract] [Full Text] [Related]

  • 20. Order and correlation contributions to the entropy of hydrophobic solvation.
    Liu M, Besford QA, Mulvaney T, Gray-Weale A.
    J Chem Phys; 2015 Mar 21; 142(11):114117. PubMed ID: 25796241
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 10.