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 *

140 related articles for article (PubMed ID: 32566840)

  • 61. Blue M2: an intermediate melanoidin studied via conceptual DFT.
    Frau J; Glossman-Mitnik D
    J Mol Model; 2018 May; 24(6):138. PubMed ID: 29855721
    [TBL] [Abstract][Full Text] [Related]  

  • 62. Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2(+) (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals.
    Sumimoto M; Kawashima Y; Hori K; Fujimoto H
    Phys Chem Chem Phys; 2015 Mar; 17(9):6478-83. PubMed ID: 25656639
    [TBL] [Abstract][Full Text] [Related]  

  • 63. Quantum Chemical Investigation of Light-Activated Spin State Change in Pyrene Coupled to Oxoverdazyl Radical Center.
    Sadhukhan T; Datta A; Datta SN
    J Phys Chem A; 2015 Sep; 119(35):9414-24. PubMed ID: 26291476
    [TBL] [Abstract][Full Text] [Related]  

  • 64. Quantum chemical investigation on indole: vibrational force field and theoretical determination of its aqueous pK(a) value.
    Pietropolli Charmet A; Quartarone G; Ronchin L; Tortato C; Vavasori A
    J Phys Chem A; 2013 Aug; 117(31):6846-58. PubMed ID: 23899419
    [TBL] [Abstract][Full Text] [Related]  

  • 65. Toward selection of efficient density functionals for van der Waals molecular complexes: comparative study of C-H···π and N-H···π interactions.
    Paytakov G; Dinadayalane T; Leszczynski J
    J Phys Chem A; 2015 Feb; 119(7):1190-200. PubMed ID: 25606662
    [TBL] [Abstract][Full Text] [Related]  

  • 66. Performance of SM6, SM8, and SMD on the SAMPL1 test set for the prediction of small-molecule solvation free energies.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 Apr; 113(14):4538-43. PubMed ID: 19253989
    [TBL] [Abstract][Full Text] [Related]  

  • 67. Betalains from Christmas cactus.
    Kobayashi N; Schmidt J; Nimtz M; Wray V; Schliemann W
    Phytochemistry; 2000 Jun; 54(4):419-26. PubMed ID: 10897484
    [TBL] [Abstract][Full Text] [Related]  

  • 68. Analysis of lowest energy transitions at TD-DFT of pyrene in vacuum and solvent.
    Graef EL; Martins JBL
    J Mol Model; 2019 Jun; 25(7):183. PubMed ID: 31175477
    [TBL] [Abstract][Full Text] [Related]  

  • 69. Comparative Assessment of DFT Performances in Ru- and Rh-Promoted σ-Bond Activations.
    Sun Y; Hu L; Chen H
    J Chem Theory Comput; 2015 Apr; 11(4):1428-38. PubMed ID: 26574354
    [TBL] [Abstract][Full Text] [Related]  

  • 70. TD-DFT investigation of D-π-A organic dyes with thiophene moieties as π-spacers for use as sensitizers in DSSCs.
    Hasanein AA; Elmarassi YR; Kassem EN
    J Mol Model; 2016 May; 22(5):115. PubMed ID: 27126050
    [TBL] [Abstract][Full Text] [Related]  

  • 71. First principles pKa calculations on carboxylic acids using the SMD solvation model: effect of thermodynamic cycle, model chemistry, and explicit solvent molecules.
    Sutton CC; Franks GV; da Silva G
    J Phys Chem B; 2012 Oct; 116(39):11999-2006. PubMed ID: 22920269
    [TBL] [Abstract][Full Text] [Related]  

  • 72. Hydration of l-glycylvaline and l-glycylvalylglycine zwitterions: Structural and vibrational studies using DFT method.
    Koyambo-Konzapa SJ; Dhaouadi Z; Nsangou M
    J Mol Graph Model; 2019 May; 88():194-202. PubMed ID: 30711801
    [TBL] [Abstract][Full Text] [Related]  

  • 73. New pathways of betanidin and betanin enzymatic oxidation.
    Wybraniec S; Michałowski T
    J Agric Food Chem; 2011 Sep; 59(17):9612-22. PubMed ID: 21806060
    [TBL] [Abstract][Full Text] [Related]  

  • 74. DFT Variants for Mixed-Metal Oxides. Benchmarks Using Multi-Center Cluster Models.
    Rugg G; Genest A; Rösch N
    J Phys Chem A; 2018 Sep; 122(35):7042-7050. PubMed ID: 30141334
    [TBL] [Abstract][Full Text] [Related]  

  • 75. Assessment of DFT methods for studying acid gas capture by ionic liquids.
    García G; Atilhan M; Aparicio S
    Phys Chem Chem Phys; 2015 Oct; 17(40):26875-91. PubMed ID: 26399898
    [TBL] [Abstract][Full Text] [Related]  

  • 76. Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air.
    Nedyalkova MA; Madurga S; Tobiszewski M; Simeonov V
    J Chem Inf Model; 2019 May; 59(5):2257-2263. PubMed ID: 31042037
    [TBL] [Abstract][Full Text] [Related]  

  • 77. DFT results against experimental data for electronic properties of C
    Rostami Z; Hosseinian A; Monfared A
    J Mol Graph Model; 2018 May; 81():60-67. PubMed ID: 29525510
    [TBL] [Abstract][Full Text] [Related]  

  • 78. 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]  

  • 79. Antioxidant activity of betanidin: electrochemical study in aqueous media.
    Wybraniec S; Stalica P; Spórna A; Nemzer B; Pietrzkowski Z; Michałowski T
    J Agric Food Chem; 2011 Nov; 59(22):12163-70. PubMed ID: 21913685
    [TBL] [Abstract][Full Text] [Related]  

  • 80. 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]  

    [Previous]   [Next]    [New Search]
    of 7.