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 *

69 related articles for article (PubMed ID: 1218879)

  • 1. Molecular force constants from quantum-chemical calculations.
    Sarathy KP
    Indian J Biochem Biophys; 1975 Jun; 12(2):172-4. PubMed ID: 1218879
    [No Abstract]   [Full Text] [Related]  

  • 2. Conformation and intramolecular hydrogen bonding of 2-chloroacetamide as studied by microwave spectroscopy and quantum chemical calculations.
    Møllendal H; Samdal S
    J Phys Chem A; 2006 Feb; 110(6):2139-46. PubMed ID: 16466249
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spin-spin coupling constants in homonuclear polynitrogen species.
    Bryce DL
    Phys Chem Chem Phys; 2006 Aug; 8(29):3379-82. PubMed ID: 16855714
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations.
    Ono S; Kuroda M; Higo J; Nakajima N; Nakamura H
    J Comput Chem; 2002 Mar; 23(4):470-6. PubMed ID: 11908083
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N; Ma J
    J Phys Chem A; 2008 Oct; 112(40):9854-67. PubMed ID: 18788721
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum calculations for psychopharmacology.
    Kaufman JJ
    Psychopharmacol Bull; 1975 Jul; 11(3):64. PubMed ID: 1153677
    [No Abstract]   [Full Text] [Related]  

  • 8. 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]  

  • 9. A polarizable force field for computing the infrared spectra of the polypeptide backbone.
    Schultheis V; Reichold R; Schropp B; Tavan P
    J Phys Chem B; 2008 Oct; 112(39):12217-30. PubMed ID: 18781720
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Single-molecule force spectroscopy measurements of bond elongation during a bimolecular reaction.
    Koti Ainavarapu SR; Wiita AP; Dougan L; Uggerud E; Fernandez JM
    J Am Chem Soc; 2008 May; 130(20):6479-87. PubMed ID: 18433129
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Equilibrium structures for butadiene and ethylene: compelling evidence for pi-electron delocalization in butadiene.
    Craig NC; Groner P; McKean DC
    J Phys Chem A; 2006 Jun; 110(23):7461-9. PubMed ID: 16759136
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Conformational composition of cyclopentadienylphosphine investigated by microwave spectroscopy and quantum chemical calculations.
    Møllendal H; Cole GC; Guillemin JC
    J Phys Chem A; 2006 Jan; 110(3):921-5. PubMed ID: 16419990
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
    Dorofeeva OV; Vogt N; Vogt J; Popik MV; Rykov AN; Vilkov LV
    J Phys Chem A; 2007 Jul; 111(28):6434-42. PubMed ID: 17595068
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum mechanical scoring for protein docking.
    Cho AE; Chung JY; Kim M; Park K
    J Chem Phys; 2009 Oct; 131(13):134108. PubMed ID: 19814544
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate theoretical chemistry with coupled pair models.
    Neese F; Hansen A; Wennmohs F; Grimme S
    Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Spectroscopic and quantum chemical study of the novel compound cyclopropylmethylselenol.
    Cole GC; Møllendal H; Guillemin JC
    J Phys Chem A; 2006 Feb; 110(6):2134-8. PubMed ID: 16466248
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Protein NMR chemical shift calculations based on the automated fragmentation QM/MM approach.
    He X; Wang B; Merz KM
    J Phys Chem B; 2009 Jul; 113(30):10380-8. PubMed ID: 19575540
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure-activity relationships of cholinesterase inhibitors. I. Quantum mechanical study of affinities of phenyl N-methyl carbamates.
    Goldblum A
    Mol Pharmacol; 1983 Nov; 24(3):436-42. PubMed ID: 6633506
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A study of a moleculartweezer host-guest system by a combination of quantum-chemical calculations and solid-state NMR experiments.
    Ochsenfeld C; Koziol F; Brown SP; Schaller T; Seelbach UP; Klärner FG
    Solid State Nucl Magn Reson; 2002; 22(2-3):128-53. PubMed ID: 12469808
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Scaled quantum mechanical force field for alanyl-alanine peptide in solution.
    Weir AF; Lowrey AH; Williams RW
    Biopolymers; 2001 May; 58(6):577-91. PubMed ID: 11246206
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 4.