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 *

272 related articles for article (PubMed ID: 11972012)

  • 1. Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design.
    Oldfield E
    Annu Rev Phys Chem; 2002; 53():349-78. PubMed ID: 11972012
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. A solid state 13C NMR, crystallographic, and quantum chemical investigation of phenylalanine and tyrosine residues in dipeptides and proteins.
    Mukkamala D; Zhang Y; Oldfield E
    J Am Chem Soc; 2007 Jun; 129(23):7385-92. PubMed ID: 17506558
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum chemical studies of protein structure.
    Oldfield E
    Philos Trans R Soc Lond B Biol Sci; 2005 Jun; 360(1458):1347-61. PubMed ID: 16147526
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A high-field solid-state 35/37Cl NMR and quantum chemical investigation of the chlorine quadrupolar and chemical shift tensors in amino acid hydrochlorides.
    Chapman RP; Bryce DL
    Phys Chem Chem Phys; 2007 Dec; 9(47):6219-30. PubMed ID: 18046471
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins.
    Frank A; Onila I; Möller HM; Exner TE
    Proteins; 2011 Jul; 79(7):2189-202. PubMed ID: 21557322
    [TBL] [Abstract][Full Text] [Related]  

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

  • 8. (13)C shielding tensors of crystalline amino acids and peptides: Theoretical predictions based on periodic structure models.
    Zheng A; Liu SB; Deng F
    J Comput Chem; 2009 Jan; 30(2):222-35. PubMed ID: 18785238
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Tryptophan chemical shift in peptides and proteins: a solid state carbon-13 nuclear magnetic resonance spectroscopic and quantum chemical investigation.
    Sun H; Oldfield E
    J Am Chem Soc; 2004 Apr; 126(14):4726-34. PubMed ID: 15070392
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.
    Esrafili MD; Elmi F; Hadipour NL
    J Phys Chem A; 2007 Feb; 111(5):963-70. PubMed ID: 17266238
    [TBL] [Abstract][Full Text] [Related]  

  • 11. NMR identification of left-handed polyproline type II helices.
    Lam SL; Hsu VL
    Biopolymers; 2003 Jun; 69(2):270-81. PubMed ID: 12767128
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multidimensional solid state NMR of anisotropic interactions in peptides and proteins.
    Wylie BJ; Rienstra CM
    J Chem Phys; 2008 Feb; 128(5):052207. PubMed ID: 18266412
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A solid state 13C NMR, crystallographic, and quantum chemical investigation of chemical shifts and hydrogen bonding in histidine dipeptides.
    Cheng F; Sun H; Zhang Y; Mukkamala D; Oldfield E
    J Am Chem Soc; 2005 Sep; 127(36):12544-54. PubMed ID: 16144402
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Partial atomic charges of amino acids in proteins.
    Thomas A; Milon A; Brasseur R
    Proteins; 2004 Jul; 56(1):102-9. PubMed ID: 15162490
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Static solid-state (14)N NMR and computational studies of nitrogen EFG tensors in some crystalline amino acids.
    O'Dell LA; Schurko RW
    Phys Chem Chem Phys; 2009 Aug; 11(32):7069-77. PubMed ID: 19652842
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Solid-state NMR spectra and long intradimer bonds in the pi-[TCNE]22- dianion.
    Strohmeier M; Barich DH; Grant DM; Miller JS; Pugmire RJ; Simons J
    J Phys Chem A; 2006 Jun; 110(25):7962-9. PubMed ID: 16789786
    [TBL] [Abstract][Full Text] [Related]  

  • 17. How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree-Fock, DFT, and MP2 on a biologically relevant set of molecules.
    Matta CF
    J Comput Chem; 2010 Apr; 31(6):1297-311. PubMed ID: 19882732
    [TBL] [Abstract][Full Text] [Related]  

  • 18. AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins.
    Williams DE; Peters MB; Wang B; Roitberg AE; Merz KM
    J Phys Chem A; 2009 Oct; 113(43):11550-9. PubMed ID: 19799435
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Evaluating electronic structure methods for accurate calculation of
    Dahanayake JN; Kasireddy C; Ellis JM; Hildebrandt D; Hull OA; Karnes JP; Morlan D; Mitchell-Koch KR
    J Comput Chem; 2017 Nov; 38(30):2605-2617. PubMed ID: 28833293
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Evaluating amber force fields using computed NMR chemical shifts.
    Koes DR; Vries JK
    Proteins; 2017 Oct; 85(10):1944-1956. PubMed ID: 28688107
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.