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Journal Abstract Search

200 related items for PubMed ID: 23834278

  • 1. Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration.
    Tosso RD, Andujar SA, Gutierrez L, Angelina E, Rodríguez R, Nogueras M, Baldoni H, Suvire FD, Cobo J, Enriz RD.
    J Chem Inf Model; 2013 Aug 26; 53(8):2018-32. PubMed ID: 23834278
    [Abstract] [Full Text] [Related]

  • 2. 3-Chlorotyramine Acting as Ligand of the D2 Dopamine Receptor. Molecular Modeling, Synthesis and D2 Receptor Affinity.
    Angelina E, Andujar S, Moreno L, Garibotto F, Párraga J, Peruchena N, Cabedo N, Villecco M, Cortes D, Enriz RD.
    Mol Inform; 2015 Jan 26; 34(1):28-43. PubMed ID: 27490860
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  • 3. Combined MD/QTAIM techniques to evaluate ligand-receptor interactions. Scope and limitations.
    Rojas S, Parravicini O, Vettorazzi M, Tosso R, Garro A, Gutiérrez L, Andújar S, Enriz R.
    Eur J Med Chem; 2020 Dec 15; 208():112792. PubMed ID: 32949964
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  • 5. Molecular modeling studies of Yersinia pestis dihydrofolate reductase.
    Oliveira AA, Rennó MN, de Matos CA, Bertuzzi MD, Ramalho TC, Fraga CA, França TC.
    J Biomol Struct Dyn; 2011 Oct 15; 29(2):351-67. PubMed ID: 21875154
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  • 8. Enzyme polarization of substrates of dihydrofolate reductase by different theoretical methods.
    Greatbanks SP, Gready JE, Limaye AC, Rendell AP.
    Proteins; 1999 Nov 01; 37(2):157-65. PubMed ID: 10584062
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  • 9. Analysis of Coxiela burnetti dihydrofolate reductase via in silico docking with inhibitors and molecular dynamics simulation.
    de Souza FR, Guimarães AP, Cuya T, de Freitas MP, Gonçalves ADS, Forgione P, Costa França TC.
    J Biomol Struct Dyn; 2017 Oct 01; 35(13):2975-2986. PubMed ID: 27726597
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  • 10. Mechanism inspired development of rationally designed dihydrofolate reductase inhibitors as anticancer agents.
    Singh P, Kaur M, Sachdeva S.
    J Med Chem; 2012 Jul 26; 55(14):6381-90. PubMed ID: 22734697
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  • 11. Interactions of 5-deazapteridine derivatives with Mycobacterium tuberculosis and with human dihydrofolate reductases.
    da Cunha EF, de Castro Ramalho T, Bicca de Alencastro R, Maia ER.
    J Biomol Struct Dyn; 2004 Oct 26; 22(2):119-30. PubMed ID: 15317473
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  • 12. Effect of mutation on enzyme motion in dihydrofolate reductase.
    Watney JB, Agarwal PK, Hammes-Schiffer S.
    J Am Chem Soc; 2003 Apr 02; 125(13):3745-50. PubMed ID: 12656604
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  • 14. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J.
    J Phys Condens Matter; 2008 Feb 13; 20(6):060301. PubMed ID: 21693862
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  • 18. Virtual screening, docking, and dynamics of potential new inhibitors of dihydrofolate reductase from Yersinia pestis.
    Bastos Lda C, de Souza FR, Guimarães AP, Sirouspour M, Cuya Guizado TR, Forgione P, Ramalho TC, França TC.
    J Biomol Struct Dyn; 2016 Oct 13; 34(10):2184-98. PubMed ID: 26494420
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  • 19. Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.
    Fox SJ, Pittock C, Tautermann CS, Fox T, Christ C, Malcolm NO, Essex JW, Skylaris CK.
    J Phys Chem B; 2013 Aug 15; 117(32):9478-85. PubMed ID: 23841453
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  • 20. Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis.
    Giacoppo JO, Mancini DT, Guimarães AP, Gonçalves AS, da Cunha EF, França TC, Ramalho TC.
    Eur J Med Chem; 2015 Feb 16; 91():63-71. PubMed ID: 24985033
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