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171 related items for PubMed ID: 20305358

  • 1. Universal prediction of intramolecular hydrogen bonds in organic crystals.
    Galek PT, Fábián L, Allen FH.
    Acta Crystallogr B; 2010 Apr; 66(Pt 2):237-52. PubMed ID: 20305358
    [Abstract] [Full Text] [Related]

  • 2. Knowledge-based model of hydrogen-bonding propensity in organic crystals.
    Galek PT, Fábián L, Motherwell WD, Allen FH, Feeder N.
    Acta Crystallogr B; 2007 Oct; 63(Pt 5):768-82. PubMed ID: 17873446
    [Abstract] [Full Text] [Related]

  • 3. Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.
    Karamertzanis PG, Day GM, Welch GW, Kendrick J, Leusen FJ, Neumann MA, Price SL.
    J Chem Phys; 2008 Jun 28; 128(24):244708. PubMed ID: 18601366
    [Abstract] [Full Text] [Related]

  • 4. Intramolecular hydrogen bonds: common motifs, probabilities of formation and implications for supramolecular organization.
    Bilton C, Allen FH, Shields GP, Howard JA.
    Acta Crystallogr B; 2000 Oct 28; 56 ( Pt 5)():849-56. PubMed ID: 11006561
    [Abstract] [Full Text] [Related]

  • 5. Statistical and molecular dynamics studies of buried waters in globular proteins.
    Park S, Saven JG.
    Proteins; 2005 Aug 15; 60(3):450-63. PubMed ID: 15937899
    [Abstract] [Full Text] [Related]

  • 6. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
    [Abstract] [Full Text] [Related]

  • 7. Visualizing the locality of intermolecular interactions in organic crystals.
    Li T.
    J Mol Graph Model; 2008 Feb 16; 26(6):962-5. PubMed ID: 17900952
    [Abstract] [Full Text] [Related]

  • 8. 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 16; 30(8):1251-60. PubMed ID: 18991303
    [Abstract] [Full Text] [Related]

  • 9. Computational studies of crystal structure and bonding.
    Gavezzotti A.
    Top Curr Chem; 2012 Jun 16; 315():1-32. PubMed ID: 21506002
    [Abstract] [Full Text] [Related]

  • 10. Phase transitions in the crystals of L- and DL-cysteine on cooling: intermolecular hydrogen bonds distortions and the side-chain motions of thiol-groups. 1. L-cysteine.
    Kolesov BA, Minkov VS, Boldyreva EV, Drebushchak TN.
    J Phys Chem B; 2008 Oct 09; 112(40):12827-39. PubMed ID: 18793012
    [Abstract] [Full Text] [Related]

  • 11. Spontaneous resolution through helical assembly of a conformationally chiral molecule with an unusual zwitterionic structure.
    Jayanty S, Radhakrishnan TP.
    Chemistry; 2004 Jun 07; 10(11):2661-7. PubMed ID: 15195297
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. Prediction of the intrinsic hydrogen bond acceptor strength of organic compounds by local molecular parameters.
    Schwöbel J, Ebert RU, Kühne R, Schüürmann G.
    J Chem Inf Model; 2009 Apr 08; 49(4):956-62. PubMed ID: 19296715
    [Abstract] [Full Text] [Related]

  • 14. Conformational polymorphism in organic crystals.
    Nangia A.
    Acc Chem Res; 2008 May 08; 41(5):595-604. PubMed ID: 18348538
    [Abstract] [Full Text] [Related]

  • 15. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam.
    Nowell H, Price SL.
    Acta Crystallogr B; 2005 Oct 08; 61(Pt 5):558-68. PubMed ID: 16186656
    [Abstract] [Full Text] [Related]

  • 16. Persistent hydrogen bonding in polymorphic crystal structures.
    Galek PT, Fábián L, Allen FH.
    Acta Crystallogr B; 2009 Feb 08; 65(Pt 1):68-85. PubMed ID: 19155561
    [Abstract] [Full Text] [Related]

  • 17. Guanine crystals: a first principles study.
    Ortmann F, Hannewald K, Bechstedt F.
    J Phys Chem B; 2008 Feb 07; 112(5):1540-8. PubMed ID: 18197657
    [Abstract] [Full Text] [Related]

  • 18. Metal-organic cooperative catalysis in C-H and C-C bond activation and its concurrent recovery.
    Park YJ, Park JW, Jun CH.
    Acc Chem Res; 2008 Feb 07; 41(2):222-34. PubMed ID: 18247521
    [Abstract] [Full Text] [Related]

  • 19. Biological activity predictions, crystallographic comparison and hydrogen bonding analysis of cholane derivatives.
    Rajnikant, Dinesh, Chand B.
    Indian J Biochem Biophys; 2007 Dec 07; 44(6):458-69. PubMed ID: 18320845
    [Abstract] [Full Text] [Related]

  • 20. Ab initio study of hydrogen bonding and proton transfer in 3:1 FH:NH3 and FH:collidine complexes: structures and one- and two-bond coupling constants across hydrogen bonds.
    Del Bene JE, Elguero J.
    J Phys Chem A; 2006 Jan 26; 110(3):1128-33. PubMed ID: 16420017
    [Abstract] [Full Text] [Related]

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