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 *

202 related articles for article (PubMed ID: 26588760)

  • 41. Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents.
    Nagy PI; Fabian WM
    J Phys Chem B; 2006 Dec; 110(49):25026-32. PubMed ID: 17149926
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Improving the Accuracy of the Linear Interaction Energy Method for Solvation Free Energies.
    Almlöf M; Carlsson J; Åqvist J
    J Chem Theory Comput; 2007 Nov; 3(6):2162-75. PubMed ID: 26636209
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Performance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile.
    Zanith CC; Pliego JR
    J Comput Aided Mol Des; 2015 Mar; 29(3):217-24. PubMed ID: 25398641
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Serotonin.
    Alagona G; Ghio C; Nagy PI
    J Chem Theory Comput; 2005 Sep; 1(5):801-16. PubMed ID: 26641896
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Computation of pKa values of substituted aniline radical cations in dimethylsulfoxide solution.
    Yu A; Liu Y; Li Z; Cheng JP
    J Phys Chem A; 2007 Oct; 111(39):9978-87. PubMed ID: 17760427
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases.
    Psciuk BT; Lord RL; Munk BH; Schlegel HB
    J Chem Theory Comput; 2012 Dec; 8(12):5107-23. PubMed ID: 26593200
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies.
    Soteras I; Orozco M; Luque FJ
    J Comput Aided Mol Des; 2010 Apr; 24(4):281-91. PubMed ID: 20300801
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Density Functional Theory Calculation of pKa's of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model.
    Thapa B; Schlegel HB
    J Phys Chem A; 2016 Jul; 120(28):5726-35. PubMed ID: 27327957
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Accurate pKa determination for a heterogeneous group of organic molecules.
    Schmidt am Busch M; Knapp EW
    Chemphyschem; 2004 Oct; 5(10):1513-22. PubMed ID: 15535550
    [TBL] [Abstract][Full Text] [Related]  

  • 50. The treatment of solvation by a generalized Born model and a self-consistent charge-density functional theory-based tight-binding method.
    Xie L; Liu H
    J Comput Chem; 2002 Nov; 23(15):1404-15. PubMed ID: 12370943
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field.
    Suzuoka D; Takahashi H; Ishiyama T; Morita A
    J Chem Phys; 2012 Dec; 137(21):214503. PubMed ID: 23231247
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.
    Genheden S; Mikulskis P; Hu L; Kongsted J; Söderhjelm P; Ryde U
    J Am Chem Soc; 2011 Aug; 133(33):13081-92. PubMed ID: 21728337
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Participation of Cluster Species in the Solvation Mechanism of a Weak Polar Solute in a Methanol/Water Mixture over a 0.2-0.7 Water Fraction Range:  High-Performance Liquid Chromatography Study.
    Guillaume YC; Guinchard C
    Anal Chem; 1998 Feb; 70(3):608-15. PubMed ID: 21644759
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Physical and numerical aspects of sodium ion solvation free energies
    Otlyotov AA; Itkis D; Yashina LV; Cavallo L; Minenkov Y
    Phys Chem Chem Phys; 2022 Dec; 24(48):29927-29939. PubMed ID: 36468644
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Computing pKa Values in Different Solvents by Electrostatic Transformation.
    Rossini E; Netz RR; Knapp EW
    J Chem Theory Comput; 2016 Jul; 12(7):3360-9. PubMed ID: 27310667
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Infrared photodissociation spectroscopy and density-functional calculations of protonated methanol cluster ions: Solvation structures of an excess proton.
    Tono K; Kuo JL; Tada M; Fukazawa K; Fukushima N; Kasai C; Tsukiyama K
    J Chem Phys; 2008 Aug; 129(8):084304. PubMed ID: 19044820
    [TBL] [Abstract][Full Text] [Related]  

  • 58. First principles pKa calculations on carboxylic acids using the SMD solvation model: effect of thermodynamic cycle, model chemistry, and explicit solvent molecules.
    Sutton CC; Franks GV; da Silva G
    J Phys Chem B; 2012 Oct; 116(39):11999-2006. PubMed ID: 22920269
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Prediction of the pKa's of aqueous metal ion +2 complexes.
    Jackson VE; Felmy AR; Dixon DA
    J Phys Chem A; 2015 Mar; 119(12):2926-39. PubMed ID: 25721568
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalities.
    Ginovska B; Camaioni DM; Dupuis M; Schwerdtfeger CA; Gil Q
    J Phys Chem A; 2008 Oct; 112(42):10604-13. PubMed ID: 18816107
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.