BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

129 related articles for article (PubMed ID: 2818858)

  • 1. The role of hydrated divalent metal ions in the bridging of two anionic groups. An ab initio quantum chemical and molecular mechanics study of dimethyl phosphate and formate bridged by calcium and magnesium ions.
    Deerfield DW; Lapadat MA; Spremulli LL; Hiskey RG; Pedersen LG
    J Biomol Struct Dyn; 1989 Jun; 6(6):1077-91. PubMed ID: 2818858
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The first solvation shell of magnesium and calcium ions in a model nucleic acid environment: an ab initio study.
    Deerfield DW; Pedersen LG
    J Biomol Struct Dyn; 1995 Aug; 13(1):167-80. PubMed ID: 8527028
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Salt or ion bridges in biological systems: a study employing quantum and molecular mechanics.
    Deerfield DW; Nicholas HB; Hiskey RG; Pedersen LG
    Proteins; 1989; 6(2):168-92. PubMed ID: 2622904
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Crystal and electronic structures of magnesium(II), copper(II), and mixed magnesium(II)-copper(II) complexes of the quinoline half of styrylquinoline-type HIV-1 integrase inhibitors.
    Courcot B; Firley D; Fraisse B; Becker P; Gillet JM; Pattison P; Chernyshov D; Sghaier M; Zouhiri F; Desmaële D; d'Angelo J; Bonhomme F; Geiger S; Ghermani NE
    J Phys Chem B; 2007 May; 111(21):6042-50. PubMed ID: 17488111
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Different modes of interaction between hydrated magnesium ion and DNA functional groups: database analysis and ab initio studies.
    Bandyopadhyay D; Bhattacharyya D
    J Biomol Struct Dyn; 2003 Dec; 21(3):447-58. PubMed ID: 14616039
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Theorization on ion-exchange equilibria: activity of species in 2-D phases.
    Tamura H
    J Colloid Interface Sci; 2004 Nov; 279(1):1-22. PubMed ID: 15380407
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Theoretical modeling of magnesium ion imprints in the Raman scattering of water.
    Kapitán J; Dracínský M; Kaminský J; Benda L; Bour P
    J Phys Chem B; 2010 Mar; 114(10):3574-82. PubMed ID: 20175531
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structure and dynamics of solvated Sn(II) in aqueous solution: an ab initio QM/MM MD approach.
    Hofer TS; Pribil AB; Randolf BR; Rode BM
    J Am Chem Soc; 2005 Oct; 127(41):14231-8. PubMed ID: 16218617
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. The first solvation shell of magnesium ion in a model protein environment with formate, water, and X-NH3, H2S, imidazole, formaldehyde, and chloride as ligands: an Ab initio study.
    Deerfield DW; Fox DJ; Head-Gordon M; Hiskey RG; Pedersen LG
    Proteins; 1995 Mar; 21(3):244-55. PubMed ID: 7784428
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Interactions of hydrated IIa and IIb group metal cations with thioguanine-cytosine DNA base pair: Ab initio and density functional theory investigation of polarization effects, differences among cations, and flexibility of the cation hydration shell.
    Sponer J; Burda JV; Leszczynksi J; Hobza P
    J Biomol Struct Dyn; 1999 Aug; 17(1):61-77. PubMed ID: 10496422
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k.
    Andersson M; Malmendal A; Linse S; Ivarsson I; Forsén S; Svensson LA
    Protein Sci; 1997 Jun; 6(6):1139-47. PubMed ID: 9194174
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics.
    Lim LH; Pribil AB; Ellmerer AE; Randolf BR; Rode BM
    J Comput Chem; 2010 Apr; 31(6):1195-200. PubMed ID: 19847782
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine.
    Remko M; Rode BM
    J Phys Chem A; 2006 Feb; 110(5):1960-7. PubMed ID: 16451030
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.
    Mehandzhiyski AY; Riccardi E; van Erp TS; Trinh TT; Grimes BA
    J Phys Chem B; 2015 Aug; 119(33):10710-9. PubMed ID: 26237998
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+, and Zn2+ ions with the tautomers of cytosine.
    Kobayashi R
    J Phys Chem A; 2012 May; 116(20):4987-94. PubMed ID: 22540672
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Binding of calcium and other metal ions to the EF-hand loops of calmodulin studied by quantum chemical calculations and molecular dynamics simulations.
    Lepsík M; Field MJ
    J Phys Chem B; 2007 Aug; 111(33):10012-22. PubMed ID: 17661504
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Enhanced metal ion selectivity of 2,9-di-(pyrid-2-yl)-1,10-phenanthroline and its use as a fluorescent sensor for cadmium(II).
    Cockrell GM; Zhang G; VanDerveer DG; Thummel RP; Hancock RD
    J Am Chem Soc; 2008 Jan; 130(4):1420-30. PubMed ID: 18177045
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.