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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

116 related articles for article (PubMed ID: 15517587)

  • 21. Characterization of the denaturation of human alpha-lactalbumin in urea by molecular dynamics simulations.
    Smith LJ; Jones RM; van Gunsteren WF
    Proteins; 2005 Feb; 58(2):439-49. PubMed ID: 15558602
    [TBL] [Abstract][Full Text] [Related]  

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

  • 23. Quantum simulation of solution phase intramolecular electron transfer rates in betaine-30.
    Kim H; Hwang H; Rossky PJ
    J Phys Chem A; 2006 Oct; 110(39):11223-9. PubMed ID: 17004730
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.
    Chen J; Brooks CL
    Phys Chem Chem Phys; 2008 Jan; 10(4):471-81. PubMed ID: 18183310
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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; 127(17):175105. PubMed ID: 17994855
    [TBL] [Abstract][Full Text] [Related]  

  • 26. A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules.
    Yokogawa D; Sato H; Imai T; Sakaki S
    J Chem Phys; 2009 Feb; 130(6):064111. PubMed ID: 19222271
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Recoverable one-dimensional encoding of three-dimensional protein structures.
    Kinjo AR; Nishikawa K
    Bioinformatics; 2005 May; 21(10):2167-70. PubMed ID: 15722374
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Solvation shell structure of cyclooctylpyranone in water solvent and its comparative structure, dynamics and dipole moment in HIV protease.
    Arul Murugan N; Chandra Jha P; Agren H
    Phys Chem Chem Phys; 2009 Aug; 11(30):6482-9. PubMed ID: 19809680
    [TBL] [Abstract][Full Text] [Related]  

  • 29. pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols.
    Riccardi D; Schaefer P; Cui Q
    J Phys Chem B; 2005 Sep; 109(37):17715-33. PubMed ID: 16853267
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Solvation dynamics in protein environments: comparison of fluorescence upconversion measurements of coumarin 153 in monomeric hemeproteins with molecular dynamics simulations.
    Halder M; Mukherjee P; Bose S; Hargrove MS; Song X; Petrich JW
    J Chem Phys; 2007 Aug; 127(5):055101. PubMed ID: 17688362
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Hydration free energies of amino acids: why side chain analog data are not enough.
    König G; Boresch S
    J Phys Chem B; 2009 Jul; 113(26):8967-74. PubMed ID: 19507836
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Glassy protein dynamics and gigantic solvent reorganization energy of plastocyanin.
    LeBard DN; Matyushov DV
    J Phys Chem B; 2008 Apr; 112(16):5218-27. PubMed ID: 18341321
    [TBL] [Abstract][Full Text] [Related]  

  • 33. An improved multistate empirical valence bond model for aqueous proton solvation and transport.
    Wu Y; Chen H; Wang F; Paesani F; Voth GA
    J Phys Chem B; 2008 Jan; 112(2):467-82. PubMed ID: 17999484
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Density functional theory of solvation and its relation to implicit solvent models.
    Ramirez R; Borgis D
    J Phys Chem B; 2005 Apr; 109(14):6754-63. PubMed ID: 16851760
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: molecular dynamic simulations.
    Wittayanarakul K; Aruksakunwong O; Sompornpisut P; Sanghiran-Lee V; Parasuk V; Pinitglang S; Hannongbua S
    J Chem Inf Model; 2005; 45(2):300-8. PubMed ID: 15807491
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Density functional theory based molecular-dynamics study of aqueous iodide solvation.
    Heuft JM; Meijer EJ
    J Chem Phys; 2005 Sep; 123(9):94506. PubMed ID: 16164352
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Comparison of solvation-effect methods for the simulation of peptide interactions with a hydrophobic surface.
    Sun Y; Dominy BN; Latour RA
    J Comput Chem; 2007 Aug; 28(11):1883-92. PubMed ID: 17405115
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Electrostatics calculations: latest methodological advances.
    Koehl P
    Curr Opin Struct Biol; 2006 Apr; 16(2):142-51. PubMed ID: 16540310
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Infrared and vibrational CD spectra of partially solvated alpha-helices: DFT-based simulations with explicit solvent.
    Turner DR; Kubelka J
    J Phys Chem B; 2007 Feb; 111(7):1834-45. PubMed ID: 17256894
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Short-time dynamics of polypeptides.
    Arashiro E; Drugowich de Felício JR; Hansmann UH
    J Chem Phys; 2007 Jan; 126(4):045107. PubMed ID: 17286517
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.