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 *

107 related articles for article (PubMed ID: 38207278)

  • 1. Inquiring
    Schenberg LA; Ducati LC; Autschbach J
    Inorg Chem; 2024 Jan; 63(4):2082-2089. PubMed ID: 38207278
    [TBL] [Abstract][Full Text] [Related]  

  • 2. NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFT.
    Sutter K; Truflandier LA; Autschbach J
    Chemphyschem; 2011 Jun; 12(8):1448-55. PubMed ID: 21381179
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Modeling of heavy-atom-ligand NMR spin-spin coupling in solution: molecular dynamics study and natural bond orbital analysis of Hg-C coupling constants.
    Zheng S; Autschbach J
    Chemistry; 2011 Jan; 17(1):161-73. PubMed ID: 21207613
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects.
    Demissie TB
    J Chem Phys; 2017 Nov; 147(17):174301. PubMed ID: 29117685
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivatives.
    Truflandier LA; Sutter K; Autschbach J
    Inorg Chem; 2011 Mar; 50(5):1723-32. PubMed ID: 21204547
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
    Standara S; Malináková K; Marek R; Marek J; Hocek M; Vaara J; Straka M
    Phys Chem Chem Phys; 2010 May; 12(19):5126-39. PubMed ID: 20445915
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Four-component relativistic
    Castro AC; Fliegl H; Cascella M; Helgaker T; Repisky M; Komorovsky S; Medrano MÁ; Quiroga AG; Swart M
    Dalton Trans; 2019 Jun; 48(23):8076-8083. PubMed ID: 30916692
    [TBL] [Abstract][Full Text] [Related]  

  • 8. NMR J-Coupling Constants of Tl-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital Analysis.
    Ducati LC; Marchenko A; Autschbach J
    Inorg Chem; 2016 Nov; 55(22):12011-12023. PubMed ID: 27802022
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal Compounds.
    Moncho S; Autschbach J
    J Chem Theory Comput; 2010 Jan; 6(1):223-34. PubMed ID: 26614333
    [TBL] [Abstract][Full Text] [Related]  

  • 10. (129)Xe chemical shift by the perturbational relativistic method: xenon fluorides.
    Lantto P; Vaara J
    J Chem Phys; 2007 Aug; 127(8):084312. PubMed ID: 17764253
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Relativistic calculations of magnetic resonance parameters: background and some recent developments.
    Autschbach J
    Philos Trans A Math Phys Eng Sci; 2014 Mar; 372(2011):20120489. PubMed ID: 24516182
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate prediction of 195Pt NMR chemical shifts for a series of Pt(II) and Pt(IV) antitumor agents by a non-relativistic DFT computational protocol.
    Tsipis AC; Karapetsas IN
    Dalton Trans; 2014 Apr; 43(14):5409-26. PubMed ID: 24519094
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.
    Truflandier LA; Autschbach J
    J Am Chem Soc; 2010 Mar; 132(10):3472-83. PubMed ID: 20166712
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio and relativistic DFT study of spin-rotation and NMR shielding constants in XF₆ molecules, X = S, Se, Te, Mo, and W.
    Ruud K; Demissie TB; Jaszuński M
    J Chem Phys; 2014 May; 140(19):194308. PubMed ID: 24852539
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Solvent effects on heavy atom nuclear spin-spin coupling constants: a theoretical study of Hg-C and Pt-P couplings.
    Autschbach J; Ziegler T
    J Am Chem Soc; 2001 Apr; 123(14):3341-9. PubMed ID: 11457070
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water.
    Sharma B; Tran VA; Pongratz T; Galazzo L; Zhurko I; Bordignon E; Kast SM; Neese F; Marx D
    J Chem Theory Comput; 2021 Oct; 17(10):6366-6386. PubMed ID: 34516119
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts.
    Bora PL; Novotný J; Ruud K; Komorovsky S; Marek R
    J Chem Theory Comput; 2019 Jan; 15(1):201-214. PubMed ID: 30485092
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Platinum-modified adenines: unprecedented protonation behavior revealed by NMR spectroscopy and relativistic density-functional theory calculations.
    Vícha J; Demo G; Marek R
    Inorg Chem; 2012 Feb; 51(3):1371-9. PubMed ID: 22260420
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Fragment quantum mechanical calculation of proteins and its applications.
    He X; Zhu T; Wang X; Liu J; Zhang JZ
    Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.
    Straka M; Lantto P; Räsänen M; Vaara J
    J Chem Phys; 2007 Dec; 127(23):234314. PubMed ID: 18154389
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.