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 *

141 related articles for article (PubMed ID: 20690621)

  • 1. Noncovalent interactions in the gas-phase conformers of anionic iduronate (methyl 2-o-sulfo-α-L-iduronate): variation of subconformer versus ring conformer energetics for a prototypical anionic monosaccharide studied using computational methods.
    Taylor CJ; Nix MG; Dessent CE
    J Phys Chem A; 2010 Oct; 114(42):11153-60. PubMed ID: 20690621
    [TBL] [Abstract][Full Text] [Related]  

  • 2. B3LYP/6-311++G** study of structure and spin-spin coupling constant in methyl 2-O-sulfo-alpha-L-iduronate.
    Hricovíni M
    Carbohydr Res; 2006 Nov; 341(15):2575-80. PubMed ID: 16930570
    [TBL] [Abstract][Full Text] [Related]  

  • 3. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Can current force fields reproduce ring puckering in 2-O-sulfo-alpha-L-iduronic acid? A molecular dynamics simulation study.
    Gandhi NS; Mancera RL
    Carbohydr Res; 2010 Mar; 345(5):689-95. PubMed ID: 20097328
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conformational study of erythritol and threitol in the gas state by density functional theory calculations.
    Jesus AJ; Tomé LI; Rosado MT; Leitão ML; Redinha JS
    Carbohydr Res; 2005 Feb; 340(2):283-91. PubMed ID: 15639248
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Conformations of the iduronate ring in short heparin fragments described by time-averaged distance restrained molecular dynamics.
    Muñoz-García JC; Corzana F; de Paz JL; Angulo J; Nieto PM
    Glycobiology; 2013 Nov; 23(11):1220-9. PubMed ID: 23903025
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Conformational properties of penicillins: quantum chemical calculations and molecular dynamics simulations of benzylpenicillin.
    Díaz N; Suárez D; Sordo TL
    J Comput Chem; 2003 Nov; 24(15):1864-73. PubMed ID: 14515369
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Conformational properties of 1-silyl-1-silacyclohexane, C(5)H(10)SiHSiH(3): gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations (&).
    Wallevik SO; Bjornsson R; Kvaran A; Jonsdottir S; Arnason I; Belyakov AV; Baskakov AA; Hassler K; Oberhammer H
    J Phys Chem A; 2010 Feb; 114(5):2127-35. PubMed ID: 20073516
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 125(9):2770-85. PubMed ID: 12603166
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine.
    Shubert VA; Baquero EE; Clarkson JR; James WH; Turk JA; Hare AA; Worrel K; Lipton MA; Schofield DP; Jordan KD; Zwier TS
    J Chem Phys; 2007 Dec; 127(23):234315. PubMed ID: 18154390
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Performance of M06, M06-2X, and M06-HF density functionals for conformationally flexible anionic clusters: M06 functionals perform better than B3LYP for a model system with dispersion and ionic hydrogen-bonding interactions.
    Walker M; Harvey AJ; Sen A; Dessent CE
    J Phys Chem A; 2013 Nov; 117(47):12590-600. PubMed ID: 24147965
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Conformational preferences of alpha,alpha-trehalose in gas phase and aqueous solution.
    Nunes SC; Jesus AJ; Moreno MJ; Eusébio ME
    Carbohydr Res; 2010 Sep; 345(14):2048-59. PubMed ID: 20709315
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Calculation of the energetics for the oligomerization of gas phase HgO and HgS and for the solvolysis of crystalline HgO and HgS.
    Tossell JA
    J Phys Chem A; 2006 Feb; 110(7):2571-8. PubMed ID: 16480318
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The shape of gaseous n-butylbenzene: assessment of computational methods and comparison with experiments.
    Halbert S; Clavaguéra C; Bouchoux G
    J Comput Chem; 2011 Jun; 32(8):1550-60. PubMed ID: 21328399
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Comparison of ab initio and DFT electronic structure methods for peptides containing an aromatic ring: effect of dispersion and BSSE.
    Shields AE; van Mourik T
    J Phys Chem A; 2007 Dec; 111(50):13272-7. PubMed ID: 18020320
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Toward an accurate conformational modeling of iduronic acid.
    Oborský P; Tvaroška I; Králová B; Spiwok V
    J Phys Chem B; 2013 Jan; 117(4):1003-9. PubMed ID: 23286518
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. A microwave and quantum chemical study of the conformational properties and intramolecular hydrogen bonding of 1-fluorocyclopropanecarboxylic acid.
    Møllendal H; Leonov A; de Meijere A
    J Phys Chem A; 2005 Jul; 109(28):6344-50. PubMed ID: 16833977
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory.
    Momany FA; Appell M; Willett JL; Schnupf U; Bosma WB
    Carbohydr Res; 2006 Mar; 341(4):525-37. PubMed ID: 16414033
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Conformational investigation of alpha,beta-dehydropeptides. XV: N-acetyl-alpha,beta-dehydroamino acid N 'N '-dimethylamides: conformational properties from infrared and theoretical studies.
    Broda MA; Siodłak D; Rzeszotarska B
    J Pept Sci; 2005 Sep; 11(9):546-55. PubMed ID: 15782429
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.