Bruna L. Marcial

Most-cited papers

1. The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin

   Diego F. S. Paschoal, Bruna L. Marcial, J. F. Lopes, W. D. De Almeida +1 more

   2012Journal of Computational Chemistry45 citations

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2. Chemically modified tetracyclines as inhibitors of MMP-2 matrix metalloproteinase: a molecular and structural study.

   Bruna L. Marcial, S. Sousa, I. L. Barbosa, H. D. dos Santos +1 more

   2012Journal of Physical Chemistry B31 citations

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3. Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

   Vytor P Oliveira, Bruna L. Marcial, F. Machado, E. Kraka

   2019Materials27 citations Open access

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4. Structure and properties of the 5a,6-anhydrotetracycline-platinum(II) dichloride complex: a theoretical ab initio study.

   H. D. dos Santos, Bruna L. Marcial, C. D. de Miranda, L. A. S. Costa +1 more

   2006Journal of Inorganic Biochemistry23 citations

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5. Supramolecular compounds of azo dyes derived from 1-phenylazo-2-naphthol and their nickel and copper complexes

   G. R. Ferreira, Bruna L. Marcial, H. Garcia, F. Faulstich +2 more

   201515 citations

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6. Interaction of chemically modified tetracyclines with catalytic Zn(II) ion in matrix metalloproteinase: evidence for metal coordination sites

   Bruna L. Marcial, L. A. S. Costa, W. D. De Almeida, C. P. Anconi +1 more

   201111 citations

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7. Correlation between molecular acidity (pKa) and vibrational spectroscopy

   Niraj Verma, Yunwen Tao, Bruna L. Marcial, E. Kraka

   2019Journal of Molecular Modeling9 citations

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8. Structural and dynamics analysis of matrix metalloproteinases MMP-2 complexed with chemically modified tetracyclines (CMTs)

   Bruna L. Marcial, S. Sousa, H. D. dos Santos, M. J. Ramos

   2014Journal of Biomolecular Structure and Dynamics6 citations

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9. Reactivity of 5a,6-anhydrotetracycline platinum(II) complex with biological nucleophiles: a theoretical study

   Bruna L. Marcial, Luiz Antônio, S. Costa, W. D. De Almeida +2 more

   20086 citations Open access

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10. Relating Bond Strength and Nature to the Thermodynamic Stability of Hypervalent Togni-Type Iodine Compounds.

    Vytor P Oliveira, Bruna L. Marcial, F. Machado, E. Kraka

    2021ChemPlusChem5 citations

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11. Structure and properties of the new complexes of platinum (II) with the chemically modified tetracycline CMT-3: A theoretical DFT study

    Bruna L. Marcial, L. A. S. Costa, W. D. De Almeida, H. D. dos Santos

    20094 citations

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12. Correlation betweenmolecular acidity ( pK a ) and vibrational spectroscopy

    Niraj Verma, Yunwen Tao, Bruna L. Marcial, E. Kraka

    20190 citations

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13. Theoretical pKa prediction of halogenated compounds in aqueous solution using an implicit solvation model

    Evellyn E. Soares, Vytor P Oliveira, Bruna L. Marcial

    2018Livro de Resumos da VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular0 citations Open access

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14. Theoretical Calculation of pKa Values of Amidines in Aqueous Solution Using an Implicity Solvation Model

    Bruna L. Marcial, E. Kraka

    20170 citations

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15. Index Abstracts

    A. Hassankhani, Bo-Wen Xiao, Yingruo Fan, Ning-Ning Ji +43 more

    20150 citations Open access

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