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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] Page: [Next] [New Search]