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 *

131 related articles for article (PubMed ID: 34631126)

  • 1.
    Nguyen TT
    R Soc Open Sci; 2021 Sep; 8(9):210954. PubMed ID: 34631126
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum chemical calculations of
    Sojka M; Nečas M; Toušek J
    J Mol Model; 2019 Oct; 25(11):329. PubMed ID: 31656972
    [TBL] [Abstract][Full Text] [Related]  

  • 3. DFT calculations of
    Safi ZS; Wazzan N
    Sci Rep; 2022 Oct; 12(1):17798. PubMed ID: 36273019
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Automated fragmentation quantum mechanical calculation of
    Shi M; Jin X; Wan Z; He X
    J Chem Phys; 2021 Feb; 154(6):064502. PubMed ID: 33588539
    [TBL] [Abstract][Full Text] [Related]  

  • 5. DELTA50: A Highly Accurate Database of Experimental
    Cohen RD; Wood JS; Lam YH; Buevich AV; Sherer EC; Reibarkh M; Williamson RT; Martin GE
    Molecules; 2023 Mar; 28(6):. PubMed ID: 36985422
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Critical test of some computational methods for prediction of NMR ¹H and ¹³C chemical shifts.
    Toomsalu E; Burk P
    J Mol Model; 2015 Sep; 21(9):244. PubMed ID: 26318200
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Automated Fragmentation QM/MM Calculation of Amide Proton Chemical Shifts in Proteins with Explicit Solvent Model.
    Zhu T; Zhang JZ; He X
    J Chem Theory Comput; 2013 Apr; 9(4):2104-14. PubMed ID: 26583557
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Improving the accuracy of
    Hersh WH; Chan TY
    Beilstein J Org Chem; 2023; 19():36-56. PubMed ID: 36726479
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Automated Fragmentation Quantum Mechanical Calculation of
    Zhang J; Kriebel CN; Wan Z; Shi M; Glaubitz C; He X
    J Chem Theory Comput; 2023 Oct; 19(20):7405-7422. PubMed ID: 37788419
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.
    Plumley JA; Dannenberg JJ
    J Comput Chem; 2011 Jun; 32(8):1519-27. PubMed ID: 21328398
    [TBL] [Abstract][Full Text] [Related]  

  • 11. DFT Calculations of
    Venianakis T; Oikonomaki C; Siskos MG; Primikyri A; Gerothanassis IP
    Molecules; 2021 Jun; 26(11):. PubMed ID: 34200468
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrational circular dichroism of Africanane and lippifoliane sesquiterpenes from Lippia integrifolia.
    Cerda-García-Rojas CM; Catalán CA; Muro AC; Joseph-Nathan P
    J Nat Prod; 2008 Jun; 71(6):967-71. PubMed ID: 18500843
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and
    Mari SH; Varras PC; ; Choudhary IM; Siskos MG; Gerothanassis IP
    Molecules; 2019 Jun; 24(12):. PubMed ID: 31226776
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.
    Konstantinov IA; Broadbelt LJ
    J Phys Chem A; 2011 Nov; 115(44):12364-72. PubMed ID: 21966955
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A theoretical protocol for the rational design of the bioinspired multifunctional hybrid material MIP@cercosporin.
    Sales TA; Ferreira LVF; Nogueira AG; Ramalho TC
    J Mol Model; 2023 Sep; 29(10):321. PubMed ID: 37725158
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR.
    de Oliveira MT; Alves JMA; Braga AAC; Wilson DJD; Barboza CA
    J Chem Theory Comput; 2021 Nov; 17(11):6876-6885. PubMed ID: 34637284
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Evaluation of Density Functionals and Basis Sets for Carbohydrates.
    Csonka GI; French AD; Johnson GP; Stortz CA
    J Chem Theory Comput; 2009 Apr; 5(4):679-92. PubMed ID: 26609572
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Comparative theoretical study of the UV/Vis absorption spectra of styrylpyridine compounds using TD-DFT calculations.
    Castro ME; Percino MJ; Chapela VM; Soriano-Moro G; Ceron M; Melendez FJ
    J Mol Model; 2013 May; 19(5):2015-26. PubMed ID: 23053012
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT Calculations of
    Venianakis T; Oikonomaki C; Siskos MG; Varras PC; Primikyri A; Alexandri E; Gerothanassis IP
    Molecules; 2020 Aug; 25(16):. PubMed ID: 32796664
    [TBL] [Abstract][Full Text] [Related]  

  • 20. On the utmost importance of the geometry factor of accuracy in the quantum chemical calculations of 31P NMR chemical shifts: New efficient pecG-n (n = 1, 2) basis sets for the geometry optimization procedure.
    Rusakov YY; Nikurashina YA; Rusakova IL
    J Chem Phys; 2024 Feb; 160(8):. PubMed ID: 38411228
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.