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 *

476 related articles for article (PubMed ID: 21258830)

  • 1. Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology.
    Huang Z; Dai Y; Yu L; Wang H
    J Mol Model; 2011 Oct; 17(10):2609-21. PubMed ID: 21258830
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hydrogen-bonding interactions in adrenaline-water complexes: DFT and QTAIM studies of structures, properties, and topologies.
    Wang H; Huang Z; Shen T; Guo L
    J Mol Model; 2012 Jul; 18(7):3113-23. PubMed ID: 22212733
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.
    Brovarets' OO; Yurenko YP; Hovorun DM
    J Biomol Struct Dyn; 2014; 32(6):993-1022. PubMed ID: 23730732
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation.
    Brovarets' OO; Yurenko YP; Hovorun DM
    J Biomol Struct Dyn; 2015; 33(8):1624-52. PubMed ID: 25350312
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach.
    Karabıyık H; Sevinçek R; Petek H; Aygün M
    J Mol Model; 2011 Jun; 17(6):1295-309. PubMed ID: 20820826
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme: QTAIM, NBO, and Docking Study.
    Heidarian R; Zahedi-Tabrizi M
    Curr Comput Aided Drug Des; 2021; 17(3):480-491. PubMed ID: 32459610
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Intermolecular interaction in nucleobases and dimethyl sulfoxide/water molecules: A DFT, NBO, AIM and NCI analysis.
    Venkataramanan NS; Suvitha A; Kawazoe Y
    J Mol Graph Model; 2017 Nov; 78():48-60. PubMed ID: 29017077
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topology.
    Varadwaj PR
    J Mol Model; 2010 May; 16(5):965-74. PubMed ID: 19851795
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Microsolvation of aminoethanol: a study using DFT combined with QTAIM.
    Huang Z; Dai Y; Wang H; Yu L
    J Mol Model; 2011 Nov; 17(11):2781-96. PubMed ID: 21287213
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density functional theory investigation of cocaine water complexes.
    Senthilkumar L; Umadevi P; Nithya KN; Kolandaivel P
    J Mol Model; 2013 Aug; 19(8):3411-25. PubMed ID: 23686284
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Hydrogen-hydrogen bonds in highly branched alkanes and in alkane complexes: A DFT, ab initio, QTAIM, and ELF study.
    Monteiro NK; Firme CL
    J Phys Chem A; 2014 Mar; 118(9):1730-40. PubMed ID: 24533436
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach.
    Afonin AV; Rusinska-Roszak D
    J Mol Model; 2023 Dec; 30(1):18. PubMed ID: 38159168
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical investigation on hydrogen bond interaction between adrenaline and hydrogen sulfide.
    Mohamed A; Fahim AM; Ibrahim MA
    J Mol Model; 2020 Nov; 26(12):354. PubMed ID: 33244644
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Comparative study of halogen- and hydrogen-bond interactions between benzene derivatives and dimethyl sulfoxide.
    Zheng YZ; Deng G; Zhou Y; Sun HY; Yu ZW
    Chemphyschem; 2015 Aug; 16(12):2594-601. PubMed ID: 26118800
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding.
    Shahi A; Arunan E
    Phys Chem Chem Phys; 2014 Nov; 16(42):22935-52. PubMed ID: 25127185
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO description.
    Weinhold F; Schleyer Pv; McKee WC
    J Comput Chem; 2014 Jul; 35(20):1499-508. PubMed ID: 24920537
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Investigations of the reaction mechanism of sodium with hydrogen fluoride to form sodium fluoride and the adsorption of hydrogen fluoride on sodium fluoride monomer and tetramer.
    Yu Q; Yang J; Zhang HR; Liang PY; Gao G; Yuan Y; Dou W; Zhou PP
    J Mol Model; 2024 Jan; 30(2):26. PubMed ID: 38191945
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Nature of bonding and cooperativity in linear DMSO clusters: A DFT, AIM and NCI analysis.
    Venkataramanan NS; Suvitha A
    J Mol Graph Model; 2018 May; 81():50-59. PubMed ID: 29524753
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Microsolvation effect and hydrogen-bonding pattern of taurine-water TA-(H2O)n (n = 1-3) complexes.
    Dai Y; Wang Y; Huang Z; Wang H; Yu L
    J Mol Model; 2012 Jan; 18(1):265-74. PubMed ID: 21523535
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical study of hydrogen bonding interaction in nitroxyl (HNO) dimer: interrelationship of the two N-H...O blue-shifting hydrogen bonds.
    Liu Y; Liu W; Li H; Liu J; Yang Y
    J Phys Chem A; 2006 Oct; 110(41):11760-4. PubMed ID: 17034170
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 24.