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 *

157 related articles for article (PubMed ID: 31322872)

  • 1. Efficient Protocol for Accurately Calculating
    Hehre W; Klunzinger P; Deppmeier B; Driessen A; Uchida N; Hashimoto M; Fukushi E; Takata Y
    J Nat Prod; 2019 Aug; 82(8):2299-2306. PubMed ID: 31322872
    [TBL] [Abstract][Full Text] [Related]  

  • 2. On the Efficiency of the Density Functional Theory (DFT)-Based Computational Protocol for
    Rusakov YY; Semenov VA; Rusakova IL
    Int J Mol Sci; 2023 Sep; 24(19):. PubMed ID: 37834068
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts.
    Willoughby PH; Jansma MJ; Hoye TR
    Nat Protoc; 2014 Mar; 9(3):643-60. PubMed ID: 24556787
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Evaluating the accuracy of theoretical one-bond
    Powell J; Valenti D; Bobnar H; Drain E; Elliott B; Frank S; McCullough T; Moore S; Kettring A; Iuliucci R; Harper JK
    Magn Reson Chem; 2017 Nov; 55(11):979-989. PubMed ID: 28557141
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computational studies of 13C NMR chemical shifts of saccharides.
    Taubert S; Konschin H; Sundholm D
    Phys Chem Chem Phys; 2005 Jul; 7(13):2561-9. PubMed ID: 16189565
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Applications of OR/ECD/VCD to the structure elucidation of natural products.
    Mándi A; Kurtán T
    Nat Prod Rep; 2019 Jun; 36(6):889-918. PubMed ID: 31139804
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Relative configuration of natural products using NMR chemical shifts.
    Wang B; Dossey AT; Walse SS; Edison AS; Merz KM
    J Nat Prod; 2009 Apr; 72(4):709-13. PubMed ID: 19265431
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Stereochemistry of complex marine natural products by quantum mechanical calculations of NMR chemical shifts: solvent and conformational effects on okadaic acid.
    Domínguez HJ; Crespín GD; Santiago-Benítez AJ; Gavín JA; Norte M; Fernández JJ; Daranas AH
    Mar Drugs; 2014 Jan; 12(1):176-92. PubMed ID: 24402177
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A New Metric for Evaluating DFT Calculated Proton and Carbon Chemical Shifts of Natural Products and Organic Compounds.
    Pierens GK
    Chemphyschem; 2021 Nov; 22(21):2207-2214. PubMed ID: 34546658
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 1H and 13C NMR scaling factors for the calculation of chemical shifts in commonly used solvents using density functional theory.
    Pierens GK
    J Comput Chem; 2014 Jul; 35(18):1388-94. PubMed ID: 24854878
    [TBL] [Abstract][Full Text] [Related]  

  • 11. High-Throughput in Silico Structure Validation and Revision of Halogenated Natural Products Is Enabled by Parametric Corrections to DFT-Computed
    Kutateladze AG; Reddy DS
    J Org Chem; 2017 Apr; 82(7):3368-3381. PubMed ID: 28339201
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structure elucidation of uniformly (13)C labeled small molecule natural products.
    Reibarkh M; Wyche TP; Saurí J; Bugni TS; Martin GE; Thomas Williamson R
    Magn Reson Chem; 2015 Dec; 53(12):996-1002. PubMed ID: 26768304
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Benchmarking of density functionals for a soft but accurate prediction and assignment of (1) H and (13)C NMR chemical shifts in organic and biological molecules.
    Benassi E
    J Comput Chem; 2017 Jan; 38(2):87-92. PubMed ID: 27796077
    [TBL] [Abstract][Full Text] [Related]  

  • 14.
    Xia Y; Zhang H
    SAR QSAR Environ Res; 2019 Jul; 30(7):477-490. PubMed ID: 31155931
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Critical Evaluation of the Quality of Published
    Robien W
    Prog Chem Org Nat Prod; 2017; 105():137-215. PubMed ID: 28194563
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Calculating accurate proton chemical shifts of organic molecules with density functional methods and modest basis sets.
    Jain R; Bally T; Rablen PR
    J Org Chem; 2009 Jun; 74(11):4017-23. PubMed ID: 19435298
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes.
    de Albuquerque AC; Ribeiro DJ; de Amorim MB
    J Mol Model; 2016 Aug; 22(8):183. PubMed ID: 27424297
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Application of 13C-labeling and 13C-13C COSY NMR experiments in the structure determination of a microbial natural product.
    Kwon Y; Park S; Shin J; Oh DC
    Arch Pharm Res; 2014 Aug; 37(8):967-71. PubMed ID: 24114558
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An automated framework for NMR chemical shift calculations of small organic molecules.
    Yesiltepe Y; Nuñez JR; Colby SM; Thomas DG; Borkum MI; Reardon PN; Washton NM; Metz TO; Teeguarden JG; Govind N; Renslow RS
    J Cheminform; 2018 Oct; 10(1):52. PubMed ID: 30367288
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products.
    Cimino P; Gomez-Paloma L; Duca D; Riccio R; Bifulco G
    Magn Reson Chem; 2004 Oct; 42 Spec no():S26-33. PubMed ID: 15366038
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.