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Journal Abstract Search

222 related items for PubMed ID: 11539835

  • 1. Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides.
    Sokalski WA, Keller DA, Ornstein RL, Rein R.
    J Comput Chem; 1993; 14(8):970-6. PubMed ID: 11539835
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  • 2. Transferable atom equivalent multicentered multipole expansion method.
    Whitehead CE, Breneman CM, Sukumar N, Ryan MD.
    J Comput Chem; 2003 Mar; 24(4):512-29. PubMed ID: 12594794
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  • 4. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties.
    Sokalski WA, Shibata M, Ornstein RL, Rein R.
    J Comput Chem; 1992 Sep; 13(7):883-7. PubMed ID: 11538053
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  • 5. Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of data resolution.
    Hofmann A, Kalinowski R, Luger P, van Smaalen S.
    Acta Crystallogr B; 2007 Aug; 63(Pt 4):633-43. PubMed ID: 17641434
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  • 6. 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
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  • 15. Computational study of the electronic structure characterization of a novel anti-inflammatory tripeptide derived from monocyte locomotion inhibitory factor (MLIF)-pentapeptide.
    Barrientos-Salcedo C, Rico-Rosillo G, Giménez-Scherer JA, Soriano-Correa C.
    Eur J Med Chem; 2009 Aug 08; 44(8):3114-9. PubMed ID: 19371982
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  • 16. Charge density and electrostatic potential analyses in paracetamol.
    Bouhmaida N, Bonhomme F, Guillot B, Jelsch C, Ghermani NE.
    Acta Crystallogr B; 2009 Jun 08; 65(Pt 3):363-74. PubMed ID: 19461147
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  • 17. Dye-tissue interactions: mechanisms, quantification and bonding parameters for dyes used in biological staining.
    Dapson RW.
    Biotech Histochem; 2005 Jun 08; 80(2):49-72. PubMed ID: 16195171
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  • 18. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
    Matta CF, Bader RF.
    Proteins; 2003 Aug 15; 52(3):360-99. PubMed ID: 12866050
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  • 19. Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependence.
    Kramer C, Gedeck P, Meuwly M.
    J Comput Chem; 2012 Jul 30; 33(20):1673-88. PubMed ID: 22544510
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  • 20. Core-shell potential-derived point charges.
    Tan JS, Boerrigter SX, Scaringe RP, Morris KR.
    J Comput Chem; 2012 Apr 05; 33(9):950-7. PubMed ID: 22302735
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