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 *

151 related articles for article (PubMed ID: 16838959)

  • 1. An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface.
    Bombasaro JA; Zamora MA; Baldoni HA; Enriz RD
    J Phys Chem A; 2005 Feb; 109(5):874-84. PubMed ID: 16838959
    [TBL] [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; 29(2):280-90. PubMed ID: 17559073
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane.
    Suvire FD; Santagata LN; Bombasaro JA; Enriz RD
    J Comput Chem; 2006 Jan; 27(2):188-202. PubMed ID: 16323160
    [TBL] [Abstract][Full Text] [Related]  

  • 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; 109(3):520-33. PubMed ID: 16833374
    [TBL] [Abstract][Full Text] [Related]  

  • 5. First principle computational study on the full conformational space of L-proline diamides.
    Sahai MA; Kehoe TA; Koo JC; Setiadi DH; Chass GA; Viskolcz B; Penke B; Pai EF; Csizmadia IG
    J Phys Chem A; 2005 Mar; 109(11):2660-79. PubMed ID: 16833573
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.
    Chass GA; Mirasol RS; Setiadi DH; Tang TH; Chin W; Mons M; Dimicoli I; Dognon JP; Viskolcz B; Lovas S; Penke B; Csizmadia IG
    J Phys Chem A; 2005 Jun; 109(24):5289-302. PubMed ID: 16839052
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory.
    Perczel A; Farkas O; Jákli I; Topol IA; Csizmadia IG
    J Comput Chem; 2003 Jul; 24(9):1026-42. PubMed ID: 12759903
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 113(40):10818-25. PubMed ID: 19754096
    [TBL] [Abstract][Full Text] [Related]  

  • 9. [Theoretical conformational analysis of methylamide N-acetyl-L-arginine].
    Zhorov BS; Popov EM; Govyrin VA
    Mol Biol (Mosk); 1975; 9(5):710-5. PubMed ID: 1214809
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio conformational study of N-acetyl-L-proline-N',N'-dimethylamide: a model for polyproline.
    Kee Kang Y; Sook Park H
    Biophys Chem; 2005 Jan; 113(1):93-101. PubMed ID: 15617814
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Conformational preferences of N-acetyl-L-leucine-N'-methylamide. Gas-phase and solution calculations on the model dipeptide.
    Masman MF; Lovas S; Murphy RF; Enriz RD; Rodríguez AM
    J Phys Chem A; 2007 Oct; 111(42):10682-91. PubMed ID: 17887655
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio comprehensive conformational analysis of 2'-deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum.
    Yurenko YP; Zhurakivsky RO; Ghomi M; Samijlenko SP; Hovorun DM
    J Phys Chem B; 2008 Jan; 112(4):1240-50. PubMed ID: 18092770
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Study of the conformational profile of the norbornane analogues of phenylalanine.
    Cordomí A; Gomez-Catalan J; Jimenez AI; Cativiela C; Perez JJ
    J Pept Sci; 2002 Jun; 8(6):253-66. PubMed ID: 12093002
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On the flexibility of beta-peptides.
    Beke T; Csizmadia IG; Perczel A
    J Comput Chem; 2004 Jan; 25(2):285-307. PubMed ID: 14648626
    [TBL] [Abstract][Full Text] [Related]  

  • 15. First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers.
    Sahai MA; Fejer SN; Viskolcz B; Pai EF; Csizmadia IG
    J Phys Chem A; 2006 Oct; 110(40):11527-36. PubMed ID: 17020266
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum mechanical calculations of tryptophan and comparison with conformations in native proteins.
    Yurtsever E; Yuret D; Erman B
    J Phys Chem A; 2006 Dec; 110(51):13933-8. PubMed ID: 17181353
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A comprehensive conformational analysis of bullacin B, a potent inhibitor of complex I. Molecular dynamics simulations and ab initio calculations.
    Bombasaro JA; Masman MF; Santágata LN; Freile ML; Rodríguez AM; Enriz RD
    J Phys Chem A; 2008 Aug; 112(32):7426-38. PubMed ID: 18651725
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Conformation of secondary amides. A predictive algorithm that correlates DFT-calculated structures and experimental proton chemical shifts.
    Avalos M; Babiano R; Barneto JL; Cintas P; Clemente FR; Jiménez JL; Palacios JC
    J Org Chem; 2003 Mar; 68(5):1834-42. PubMed ID: 12608799
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Calculated chemical shifts as a fine tool of conformational analysis: an unambiguous solution for haouamine alkaloids.
    Belostotskii AM
    J Org Chem; 2008 Aug; 73(15):5723-31. PubMed ID: 18597531
    [TBL] [Abstract][Full Text] [Related]  

  • 20. [Theoretical conformational analysis of methylamide of N-acetyl-L-lysine].
    Zhorov BS; Popov EM; Govyrin VA
    Mol Biol (Mosk); 1975; 9(3):415-25. PubMed ID: 1219393
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.