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Journal Abstract Search


130 related items for PubMed ID: 19788284

  • 1. Water and alanine: from puddles(32) to ponds(49).
    Mullin JM, Gordon MS.
    J Phys Chem B; 2009 Oct 29; 113(43):14413-20. PubMed ID: 19788284
    [Abstract] [Full Text] [Related]

  • 2. Alanine: then there was water.
    Mullin JM, Gordon MS.
    J Phys Chem B; 2009 Jun 25; 113(25):8657-69. PubMed ID: 19485320
    [Abstract] [Full Text] [Related]

  • 3. Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.
    Wang ZX, Duan Y.
    J Comput Chem; 2004 Nov 15; 25(14):1699-716. PubMed ID: 15362127
    [Abstract] [Full Text] [Related]

  • 4. Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine.
    Nagy PI, Alagona G, Ghio C, Takács-Novák K.
    J Am Chem Soc; 2003 Mar 05; 125(9):2770-85. PubMed ID: 12603166
    [Abstract] [Full Text] [Related]

  • 5. Incremental solvation of nonionized and zwitterionic glycine.
    Aikens CM, Gordon MS.
    J Am Chem Soc; 2006 Oct 04; 128(39):12835-50. PubMed ID: 17002379
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. Water-benzene interactions: an effective fragment potential and correlated quantum chemistry study.
    Slipchenko LV, Gordon MS.
    J Phys Chem A; 2009 Mar 12; 113(10):2092-102. PubMed ID: 19072625
    [Abstract] [Full Text] [Related]

  • 8. Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model.
    Hudáky I, Hudáky P, Perczel A.
    J Comput Chem; 2004 Sep 12; 25(12):1522-31. PubMed ID: 15224396
    [Abstract] [Full Text] [Related]

  • 9. Theoretical study of the gauche-trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO-) in solution.
    Nagy PI.
    Phys Chem Chem Phys; 2012 Oct 28; 14(40):13955-62. PubMed ID: 22977886
    [Abstract] [Full Text] [Related]

  • 10. A new scheme for determining the intramolecular seven-membered ring N-H...O=C hydrogen-bonding energies of glycine and alanine peptides.
    Wang CS, Zhang Y, Gao K, Yang ZZ.
    J Chem Phys; 2005 Jul 08; 123(2):24307. PubMed ID: 16050745
    [Abstract] [Full Text] [Related]

  • 11. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2009 May 07; 113(18):6378-96. PubMed ID: 19366259
    [Abstract] [Full Text] [Related]

  • 12. Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
    Upadhyay DM, Rai AK, Rai DK, Singh AN, Kumar A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr 07; 66(4-5):909-18. PubMed ID: 16872882
    [Abstract] [Full Text] [Related]

  • 13. Estimation on the intramolecular 10-membered ring N-H...O=C hydrogen-bonding energies in glycine and alanine peptides.
    Zhang Y, Wang CS.
    J Comput Chem; 2009 Jun 07; 30(8):1251-60. PubMed ID: 18991303
    [Abstract] [Full Text] [Related]

  • 14. 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 08; 112(18):4342-54. PubMed ID: 18373368
    [Abstract] [Full Text] [Related]

  • 15. Theoretical determination of the standard reduction potentials of pheophytin-a in N,N-dimethyl formamide and membrane.
    Mehta N, Datta SN.
    J Phys Chem B; 2007 Jun 28; 111(25):7210-7. PubMed ID: 17536851
    [Abstract] [Full Text] [Related]

  • 16. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
    Gu C, Lustig S, Trout BL.
    J Phys Chem B; 2006 Jan 26; 110(3):1476-84. PubMed ID: 16471699
    [Abstract] [Full Text] [Related]

  • 17. Structure and conformational stability of protonated dialanine.
    Sohn WY, Lee JS.
    J Phys Chem A; 2010 Jul 22; 114(28):7537-43. PubMed ID: 20572657
    [Abstract] [Full Text] [Related]

  • 18. Calculation of relative energies of permethylated oligosilane conformers in vapor and in alkane solution.
    Fogarty HA, Ottosson H, Michl J.
    J Phys Chem B; 2006 Dec 21; 110(50):25485-95. PubMed ID: 17165997
    [Abstract] [Full Text] [Related]

  • 19. Ab initio studies of aspartic acid conformers in gas phase and in solution.
    Chen M, Lin Z.
    J Chem Phys; 2007 Oct 21; 127(15):154314. PubMed ID: 17949156
    [Abstract] [Full Text] [Related]

  • 20. Predicting the energy of the water exchange reaction and free energy of solvation for the uranyl ion in aqueous solution.
    Gutowski KE, Dixon DA.
    J Phys Chem A; 2006 Jul 20; 110(28):8840-56. PubMed ID: 16836448
    [Abstract] [Full Text] [Related]


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