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 *

167 related articles for article (PubMed ID: 30823580)

  • 1. Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems.
    Kitakawa CK; Maruyama T; Oonari J; Mitsuta Y; Kawakami T; Okumura M; Yamaguchi K; Yamanaka S
    Molecules; 2019 Feb; 24(4):. PubMed ID: 30823580
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis.
    Liao RZ; Siegbahn PEM
    ChemSusChem; 2017 Nov; 10(22):4236-4263. PubMed ID: 28875583
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition: A combined XRD and QM/MM study.
    Askerka M; Wang J; Brudvig GW; Batista VS
    Biochemistry; 2014 Nov; 53(44):6860-2. PubMed ID: 25347729
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The O
    Askerka M; Brudvig GW; Batista VS
    Acc Chem Res; 2017 Jan; 50(1):41-48. PubMed ID: 28001034
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular designs for controlling the local environments around metal ions.
    Cook SA; Borovik AS
    Acc Chem Res; 2015 Aug; 48(8):2407-14. PubMed ID: 26181849
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantum mechanics calculations, basicity and crystal structure: the route to transition metal complexes of azahelicenes.
    Caronna T; Castiglione F; Famulari A; Fontana F; Malpezzi L; Mele A; Mendola D; Sora IN
    Molecules; 2012 Jan; 17(1):463-79. PubMed ID: 22222906
    [TBL] [Abstract][Full Text] [Related]  

  • 7. What computational chemistry and magnetic resonance reveal concerning the oxygen evolving centre in Photosystem II.
    Terrett R; Petrie S; Stranger R; Pace RJ
    J Inorg Biochem; 2016 Sep; 162():178-189. PubMed ID: 27157978
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An ONIOM study of the spin density distribution of the QA site plastosemiquinone in the photosystem II reaction center.
    Lin TJ; O'Malley PJ
    J Phys Chem B; 2011 Apr; 115(14):4227-33. PubMed ID: 21428296
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Effect of Chloride Depletion on the Magnetic Properties and the Redox Leveling of the Oxygen-Evolving Complex in Photosystem II.
    Amin M; Pokhrel R; Brudvig GW; Badawi A; Obayya SS
    J Phys Chem B; 2016 May; 120(18):4243-8. PubMed ID: 27077688
    [TBL] [Abstract][Full Text] [Related]  

  • 10. LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst.
    Thom AJ; Sundstrom EJ; Head-Gordon M
    Phys Chem Chem Phys; 2009 Dec; 11(47):11297-304. PubMed ID: 20024398
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Photosystem II like water oxidation mechanism in a bioinspired tetranuclear manganese complex.
    Liao RZ; Kärkäs MD; Lee BL; Åkermark B; Siegbahn PE
    Inorg Chem; 2015 Jan; 54(1):342-51. PubMed ID: 25486382
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Strong Coupling between the Hydrogen Bonding Environment and Redox Chemistry during the S2 to S3 Transition in the Oxygen-Evolving Complex of Photosystem II.
    Isobe H; Shoji M; Shen JR; Yamaguchi K
    J Phys Chem B; 2015 Oct; 119(43):13922-33. PubMed ID: 26440915
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.
    Sproviero EM; Gascón JA; McEvoy JP; Brudvig GW; Batista VS
    J Am Chem Soc; 2008 Mar; 130(11):3428-42. PubMed ID: 18290643
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Influence of the Ca(2+) ion on the Mn4Ca conformation and the H-bond network arrangement in Photosystem II.
    Saito K; Ishikita H
    Biochim Biophys Acta; 2014 Jan; 1837(1):159-66. PubMed ID: 24095684
    [TBL] [Abstract][Full Text] [Related]  

  • 15. QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II.
    Sproviero EM; Shinopoulos K; Gascón JA; McEvoy JP; Brudvig GW; Batista VS
    Philos Trans R Soc Lond B Biol Sci; 2008 Mar; 363(1494):1149-56; discussion 1156. PubMed ID: 17971333
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.
    Shin JW; Rowthu SR; Hyun MY; Song YJ; Kim C; Kim BG; Min KS
    Dalton Trans; 2011 Jun; 40(21):5762-73. PubMed ID: 21523305
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Characterization of the Sr(2+)- and Cd(2+)-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations.
    Pitari F; Bovi D; Narzi D; Guidoni L
    Biochemistry; 2015 Sep; 54(38):5959-68. PubMed ID: 26346422
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.
    Askerka M; Ho J; Batista ER; Gascón JA; Batista VS
    Methods Enzymol; 2016; 577():443-81. PubMed ID: 27498648
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Spectroscopic and theoretical studies of transition metal oxides and dioxygen complexes.
    Gong Y; Zhou M; Andrews L
    Chem Rev; 2009 Dec; 109(12):6765-808. PubMed ID: 19761186
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 9.