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422 related items for PubMed ID: 16848609

  • 1. 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]

  • 2. Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides.
    Cheluvaraja S, Meirovitch H.
    J Chem Phys; 2005 Feb 01; 122(5):54903. PubMed ID: 15740349
    [Abstract] [Full Text] [Related]

  • 3. Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water.
    White RP, Meirovitch H.
    J Chem Phys; 2004 Dec 08; 121(22):10889-904. PubMed ID: 15634040
    [Abstract] [Full Text] [Related]

  • 4. Stability of the Free and Bound Microstates of a Mobile Loop of α-Amylase Obtained from the Absolute Entropy and Free Energy.
    Cheluvaraja S, Meirovitch H.
    J Chem Theory Comput; 2008 Jan 08; 4(1):192-208. PubMed ID: 26619992
    [Abstract] [Full Text] [Related]

  • 5. Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics.
    Meirovitch H.
    J Mol Recognit; 2010 Jan 08; 23(2):153-72. PubMed ID: 19650071
    [Abstract] [Full Text] [Related]

  • 6. Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids.
    White RP, Meirovitch H.
    J Chem Phys; 2006 May 28; 124(20):204108. PubMed ID: 16774320
    [Abstract] [Full Text] [Related]

  • 7. Simulation method for calculating the entropy and free energy of peptides and proteins.
    Cheluvaraja S, Meirovitch H.
    Proc Natl Acad Sci U S A; 2004 Jun 22; 101(25):9241-6. PubMed ID: 15197271
    [Abstract] [Full Text] [Related]

  • 8. Entropy and free energy of a mobile protein loop in explicit water.
    Cheluvaraja S, Mihailescu M, Meirovitch H.
    J Phys Chem B; 2008 Aug 07; 112(31):9512-22. PubMed ID: 18613721
    [Abstract] [Full Text] [Related]

  • 9. A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and water.
    White RP, Meirovitch H.
    Proc Natl Acad Sci U S A; 2004 Jun 22; 101(25):9235-40. PubMed ID: 15197270
    [Abstract] [Full Text] [Related]

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  • 12. Evaluating the conformational entropy of macromolecules using an energy decomposition approach.
    Ohkubo YZ, Thorpe IF.
    J Chem Phys; 2006 Jan 14; 124(2):024910. PubMed ID: 16422651
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  • 13. Exhaustive mutagenesis in silico: multicoordinate free energy calculations on proteins and peptides.
    Pitera JW, Kollman PA.
    Proteins; 2000 Nov 15; 41(3):385-97. PubMed ID: 11025549
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  • 17. A skewed-momenta method to efficiently generate conformational-transition trajectories.
    MacFadyen J, Andricioaei I.
    J Chem Phys; 2005 Aug 15; 123(7):074107. PubMed ID: 16229559
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  • 18. Calculation of conformation-dependent biomolecular forces.
    Hwang W.
    J Chem Phys; 2007 Nov 07; 127(17):175104. PubMed ID: 17994854
    [Abstract] [Full Text] [Related]

  • 19. Entropy of water in the hydration layer of major and minor grooves of DNA.
    Jana B, Pal S, Maiti PK, Lin ST, Hynes JT, Bagchi B.
    J Phys Chem B; 2006 Oct 05; 110(39):19611-8. PubMed ID: 17004828
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