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Journal Abstract Search

160 related items for PubMed ID: 19754096

  • 1. Ab initio and DFT study of the conformational energy hypersurface of cyclic Gly-Gly-Gly.
    Tosso RD, Zamora MA, Suvire FD, Enriz RD.
    J Phys Chem A; 2009 Oct 08; 113(40):10818-25. PubMed ID: 19754096
    [Abstract] [Full Text] [Related]

  • 2. Ring inversion in 1,4,7 cyclononatriene and analogues: Ab initio and DFT calculations and topological analysis.
    Zamora MA, Suvire FD, Enriz RD.
    J Comput Chem; 2008 Jan 30; 29(2):280-90. PubMed ID: 17559073
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  • 4. Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study.
    Law JM, Setiadi DH, Chass GA, Csizmadia IG, Viskolcz B.
    J Phys Chem A; 2005 Jan 27; 109(3):520-33. PubMed ID: 16833374
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  • 5. Quantum mechanical and NMR studies of ring puckering and cis/trans-rotameric interconversion in prolines and hydroxyprolines.
    Aliev AE, Bhandal S, Courtier-Murias D.
    J Phys Chem A; 2009 Oct 08; 113(40):10858-65. PubMed ID: 19757781
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  • 7. Combined use of molecular dynamics simulations and NMR to explore peptide bond isomerization and multiple intramolecular hydrogen-bonding possibilities in a cyclic pentapeptide, cyclo(Gly-Pro-D-Phe-Gly-Val).
    Liu ZP, Gierasch LM.
    Biopolymers; 1992 Dec 08; 32(12):1727-39. PubMed ID: 1472655
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  • 8. The rate enhancement for prolyl cis-to-trans isomerization of cyclic CPFC peptide is caused by an increase in the vibrational entropy of the transition state.
    Lee JY, Kang YK.
    J Phys Chem B; 2008 Mar 20; 112(11):3287-9. PubMed ID: 18302366
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  • 9. A study of conformational stability and vibrational assignments of 1-aminocyclopropanecarboxylic acid c-C3H4(NH2)-COOH.
    Badawi HM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug 15; 73(4):707-12. PubMed ID: 19398368
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  • 10. Conformations and conformational interconversions of diastereomeric cyclic tetraprolines.
    Link U, Mästle W, Rothe M.
    Int J Pept Protein Res; 1993 Nov 15; 42(5):475-83. PubMed ID: 8106200
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  • 14. Cyclic retro-inverso dipeptides with two aromatic side chains. II. Conformational analysis.
    Yamazaki T, Nunami K, Goodman M.
    Biopolymers; 1991 Nov 15; 31(13):1513-28. PubMed ID: 1814501
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  • 16. Thermodynamic origin of cis/trans isomers of a proline-containing beta-turn model dipeptide in aqueous solution: a combined variable temperature 1H-NMR, two-dimensional 1H,1H gradient enhanced nuclear Overhauser effect spectroscopy (NOESY), one-dimensional steady-state intermolecular 13C,1H NOE, and molecular dynamics study.
    Troganis A, Gerothanassis IP, Athanassiou Z, Mavromoustakos T, Hawkes GE, Sakarellos C.
    Biopolymers; 2000 Jan 15; 53(1):72-83. PubMed ID: 10644952
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  • 17. Conformational behavior of beta-proline oligomers.
    Sandvoss LM, Carlson HA.
    J Am Chem Soc; 2003 Dec 24; 125(51):15855-62. PubMed ID: 14677977
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  • 18. Substituent effects on structural stability of formyl ketene and analysis of vibrational spectra of formyl haloketenes and formyl methylketene.
    Badawi HM, Al-Saadi A, Förner W.
    Spectrochim Acta A Mol Biomol Spectrosc; 2002 Jan 01; 58(1):33-53. PubMed ID: 11808649
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  • 19. Conformational stability, optimized geometries, vibrational and electronic spectra of methacryloyl bromide in ground and excited electronic states.
    Sharma A, Gupta VP, Virdi A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jan 01; 60(1-2):311-20. PubMed ID: 14670493
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  • 20. Aspirin. An ab initio quantum-mechanical study of conformational preferences and of neighboring group interactions.
    Glaser R.
    J Org Chem; 2001 Feb 09; 66(3):771-9. PubMed ID: 11430095
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