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 *

137 related articles for article (PubMed ID: 28700233)

  • 1. Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation.
    Menger MFSJ; Caprasecca S; Mennucci B
    J Chem Theory Comput; 2017 Aug; 13(8):3778-3786. PubMed ID: 28700233
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.
    Caprasecca S; Jurinovich S; Viani L; Curutchet C; Mennucci B
    J Chem Theory Comput; 2014 Apr; 10(4):1588-98. PubMed ID: 26580371
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dynamics in the DNA recognition by DAPI: exploration of the various binding modes.
    Banerjee D; Pal SK
    J Phys Chem B; 2008 Jan; 112(3):1016-21. PubMed ID: 18171050
    [TBL] [Abstract][Full Text] [Related]  

  • 4. An investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools.
    Biancardi A; Biver T; Secco F; Mennucci B
    Phys Chem Chem Phys; 2013 Apr; 15(13):4596-603. PubMed ID: 23423468
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM Scheme.
    Nogueira JJ; Roßbach S; Ochsenfeld C; González L
    J Chem Theory Comput; 2018 Aug; 14(8):4298-4308. PubMed ID: 29906110
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Intercalating fluorescence dye YOYO-1 prevents the folding transition in giant duplex DNA.
    Yoshinaga N; Akitaya T; Yoshikawa K
    Biochem Biophys Res Commun; 2001 Aug; 286(2):264-7. PubMed ID: 11500031
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Conical Intersections in Solution with Polarizable Embedding: Integral-Exact Direct Reaction Field.
    Liu X; Humeniuk A; Glover WJ
    J Chem Theory Comput; 2022 Nov; 18(11):6826-6839. PubMed ID: 36251342
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings.
    Loco D; Lagardère L; Cisneros GA; Scalmani G; Frisch M; Lipparini F; Mennucci B; Piquemal JP
    Chem Sci; 2019 Aug; 10(30):7200-7211. PubMed ID: 31588288
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Analytic Excited State Gradients for the QM/MM Polarizable Embedded Second-Order Algebraic Diagrammatic Construction for the Polarization Propagator PE-ADC(2).
    Marefat Khah A; Karbalaei Khani S; Hättig C
    J Chem Theory Comput; 2018 Sep; 14(9):4640-4650. PubMed ID: 30040882
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein.
    Daday C; Curutchet C; Sinicropi A; Mennucci B; Filippi C
    J Chem Theory Comput; 2015 Oct; 11(10):4825-39. PubMed ID: 26574271
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores.
    Bravaya KB; Grigorenko BL; Nemukhin AV; Krylov AI
    Acc Chem Res; 2012 Feb; 45(2):265-75. PubMed ID: 21882809
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach.
    Barone V; Bloino J; Monti S; Pedone A; Prampolini G
    Phys Chem Chem Phys; 2011 Feb; 13(6):2160-6. PubMed ID: 21127788
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ultrafast excited-state dynamics of oxazole yellow DNA intercalators.
    Fürstenberg A; Vauthey E
    J Phys Chem B; 2007 Nov; 111(43):12610-20. PubMed ID: 17929857
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Excited-state photophysics of an acridine derivative selectively intercalated in duplex DNA.
    Hess S; Davis WB; Voityuk AA; Rösch N; Michel-Beyerle ME; Ernsting NP; Kovalenko SA; Pérez Lustres JL
    Chemphyschem; 2002 May; 3(5):452-5. PubMed ID: 12465507
    [No Abstract]   [Full Text] [Related]  

  • 15. Polarizable Embedding with a Transferable H
    Jónsson EÖ; Dohn AO; Jónsson H
    J Chem Theory Comput; 2019 Dec; 15(12):6562-6577. PubMed ID: 31689104
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations.
    Loco D; Polack É; Caprasecca S; Lagardère L; Lipparini F; Piquemal JP; Mennucci B
    J Chem Theory Comput; 2016 Aug; 12(8):3654-61. PubMed ID: 27340904
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum.
    Li Q; Mennucci B; Robb MA; Blancafort L; Curutchet C
    J Chem Theory Comput; 2015 Apr; 11(4):1674-82. PubMed ID: 26574377
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent.
    Nakano H; Yamamoto T
    J Chem Phys; 2012 Apr; 136(13):134107. PubMed ID: 22482540
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: an integrated Car-Parrinello and TDDFT study.
    Fantacci S; De Angelis F; Sgamellotti A; Marrone A; Re N
    J Am Chem Soc; 2005 Oct; 127(41):14144-5. PubMed ID: 16218583
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Computational Approach for Studying Optical Properties of DNA Systems in Solution.
    Nørby MS; Steinmann C; Olsen JM; Li H; Kongsted J
    J Chem Theory Comput; 2016 Oct; 12(10):5050-5057. PubMed ID: 27585250
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.