BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

167 related articles for article (PubMed ID: 23306735)

  • 1. Microsolvation of Mg²⁺, Ca²⁺: strong influence of formal charges in hydrogen bond networks.
    Gonzalez JD; Florez E; Romero J; Reyes A; Restrepo A
    J Mol Model; 2013 Apr; 19(4):1763-77. PubMed ID: 23306735
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Protonation of a hydroxide anion bridging two divalent magnesium cations in water probed by first-principles metadynamics simulation.
    Park JM; Boero M
    J Phys Chem B; 2010 Sep; 114(34):11102-9. PubMed ID: 20695500
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Proton transfer through hydrogen bonds in two-dimensional water layers: a theoretical study based on ab initio and quantum-classical simulations.
    Bankura A; Chandra A
    J Chem Phys; 2015 Jan; 142(4):044701. PubMed ID: 25637997
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange Process.
    Kurnikov IV; Kurnikova M
    J Phys Chem B; 2015 Aug; 119(32):10275-86. PubMed ID: 26109375
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Microsolvation and hydrogen bond interactions in Glycine Dipeptide: molecular dynamics and density functional theory studies.
    Yogeswari B; Kanakaraju R; Boopathi S; Kolandaivel P
    J Mol Graph Model; 2012 May; 35():11-20. PubMed ID: 22481074
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Microsolvation versus Encapsulation in Mono, Di, and Trivalent Cations.
    Flórez E; Gómez S; Acelas N; Hadad C; Restrepo A
    Chemphyschem; 2022 Dec; 23(23):e202200456. PubMed ID: 35962558
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Comprehensive study on the solvation of mono- and divalent metal cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+.
    Rao JS; Dinadayalane TC; Leszczynski J; Sastry GN
    J Phys Chem A; 2008 Dec; 112(50):12944-53. PubMed ID: 18834092
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics.
    Liu J; Liu R; Cao Y; Chen M
    Phys Chem Chem Phys; 2023 Jan; 25(2):983-993. PubMed ID: 36519362
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Force fields for divalent cations based on single-ion and ion-pair properties.
    Mamatkulov S; Fyta M; Netz RR
    J Chem Phys; 2013 Jan; 138(2):024505. PubMed ID: 23320702
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Understanding microsolvation of Li+: structural and energetical analyses.
    Romero J; Reyes A; David J; Restrepo A
    Phys Chem Chem Phys; 2011 Sep; 13(33):15264-71. PubMed ID: 21792439
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule-cation interaction between the nitro group of 3,4-dinitropyrazole and H+, Li+, Na+, Be2+ or Mg2+.
    Du S; Wang Y; Chen LZ; Shi WJ; Ren FD; Li YX; Wang JL; Cao DL
    J Mol Model; 2012 May; 18(5):2105-15. PubMed ID: 21904813
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Solvation of calcium ions in methanol-water mixtures: molecular dynamics simulation.
    Owczarek E; Rybicki M; Hawlicka E
    J Phys Chem B; 2007 Dec; 111(51):14271-8. PubMed ID: 18062680
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length.
    Philipp JK; Ludwig R
    Molecules; 2020 Oct; 25(21):. PubMed ID: 33121087
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Albumin-Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics.
    Bełdowski P; Przybyłek M; Raczyński P; Dedinaite A; Górny K; Wieland F; Dendzik Z; Sionkowska A; Claesson PM
    Int J Mol Sci; 2021 Nov; 22(22):. PubMed ID: 34830249
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Many-body energies during proton transfer in an aqueous system.
    Chaudhari A; Meraj GA; Lee SL
    J Mol Model; 2010 Oct; 16(10):1559-66. PubMed ID: 20195664
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential.
    Jiao D; King C; Grossfield A; Darden TA; Ren P
    J Phys Chem B; 2006 Sep; 110(37):18553-9. PubMed ID: 16970483
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerization.
    Rahaman O; van Duin AC; Goddard WA; Doren DJ
    J Phys Chem B; 2011 Jan; 115(2):249-61. PubMed ID: 21166434
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Yang ZZ; Qian P
    J Chem Phys; 2006 Aug; 125(6):64311. PubMed ID: 16942290
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantum and all-atom molecular dynamics simulations of protonation and divalent ion binding to phosphatidylinositol 4,5-bisphosphate (PIP2).
    Slochower DR; Huwe PJ; Radhakrishnan R; Janmey PA
    J Phys Chem B; 2013 Jul; 117(28):8322-9. PubMed ID: 23786273
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics.
    Ikeda T; Boero M; Terakura K
    J Chem Phys; 2007 Aug; 127(7):074503. PubMed ID: 17718616
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.