Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis
Bezerra, K. S, Vianna, J. F, Lima Neto, J. X, Ivan Nobre Oliveira, J, Albuquerque, E. L, Fulco, U. L
Published in New journal of chemistry (21.04.2020)
Published in New journal of chemistry (21.04.2020)
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Journal Article
New ethionamide boosters and EthR2: structural and energetic analysis
Vianna, J. F, Bezerra, K. S, Lima Costa, A. H, Barbosa, E. D, Lima Neto, J. X, Oliveira, J. I. N, Freire, V. N, Fulco, U. L
Published in Physical chemistry chemical physics : PCCP (20.10.2021)
Published in Physical chemistry chemical physics : PCCP (20.10.2021)
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Journal Article
Optimizing the encounter rate in biological interactions: Lévy versus Brownian strategies
Bartumeus, F, Catalan, J, Fulco, U L, Lyra, M L, Viswanathan, G M
Published in Physical review letters (04.03.2002)
Published in Physical review letters (04.03.2002)
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Journal Article
In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease
de Oliveira Só, Yuri Alves, Bezerra, Katyanna Sales, Gargano, Ricardo, Mendonça, Fabio L L, Souto, Janeusa Trindade, Fulco, Umberto L, Pereira Junior, Marcelo Lopes, Junior, Luiz Antônio Ribeiro
Published in Biomolecules (Basel, Switzerland) (01.07.2024)
Published in Biomolecules (Basel, Switzerland) (01.07.2024)
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Journal Article
Vibrational Spectroscopy and Phonon-Related Properties of the l‑Aspartic Acid Anhydrous Monoclinic Crystal
Silva, A. M, Costa, S. N, Sales, F. A. M, Freire, V. N, Bezerra, E. M, Santos, R. P, Fulco, U. L, Albuquerque, E. L, Caetano, E. W. S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.12.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.12.2015)
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Journal Article
In vitro antiplasmodial activity, pharmacokinetic profiles and interference in isoprenoid pathway of 2-aniline-3-hydroxy-1.4-naphthoquinone derivatives
de Sena Pereira, Valeska S, da Silva Emery, Flávio, Lobo, Lis, Nogueira, Fátima, Oliveira, Jonas I N, Fulco, Umberto L, Albuquerque, Eudenilson L, Katzin, Alejandro M, de Andrade-Neto, Valter F
Published in Malaria journal (19.12.2018)
Published in Malaria journal (19.12.2018)
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Journal Article
Spatial analysis of oil reservoirs using detrended fluctuation analysis of geophysical data
Ribeiro, R A, Mata, M V M, Lucena, L S, Fulco, U L, Corso, G
Published in Nonlinear processes in geophysics (20.10.2014)
Published in Nonlinear processes in geophysics (20.10.2014)
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Journal Article
Quantum Biochemical Investigation of Lys49-PLA2 from Bothrops moojeni
Barbosa, E D, Lima Neto, J X, Bezerra, K S, Oliveira, J I N, Machado, L D, Fulco, U L
Published in The journal of physical chemistry. B (02.12.2021)
Published in The journal of physical chemistry. B (02.12.2021)
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Journal Article
The two-dimensional site-diluted Ising model: a short-time-dynamics approach
da Silva, L F, Fulco, U L, Nobre, F D
Published in Journal of physics. Condensed matter (26.08.2009)
Published in Journal of physics. Condensed matter (26.08.2009)
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Journal Article
Intermolecular interactions of cn-716 and acyl-KR-aldehyde dipeptide inhibitors against Zika virus
Campos, Daniel M. O, Bezerra, Katyanna S, Esmaile, Stephany C, Fulco, Umberto L, Albuquerque, Eudenilson L, Oliveira, Jonas I. N
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
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Journal Article
Binding energies of the drugs capreomycin and streptomycin in complex with tuberculosis bacterial ribosome subunits
Vianna, Jessica F, Bezerra, Katyanna, Oliveira, Jonas, Albuquerque, Eudenilson L, Fulco, Umberto L
Published in Physical chemistry chemical physics : PCCP (21.09.2019)
Published in Physical chemistry chemical physics : PCCP (21.09.2019)
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Journal Article
Quantum Biochemical Investigation of Lys49-PLA 2 from Bothrops moojeni
Barbosa, E D, Lima Neto, J X, Bezerra, K S, Oliveira, J I N, Machado, L D, Fulco, U L
Published in The journal of physical chemistry. B (02.12.2021)
Published in The journal of physical chemistry. B (02.12.2021)
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Journal Article
Ribosomal RNA–Aminoglycoside Hygromycin B Interaction Energy Calculation within a Density Functional Theory Framework
Bezerra, Katyanna S, Fulco, Umberto L, Esmaile, Stephany C, Lima Neto, José X, Machado, Leonardo D, Freire, Valder N, Albuquerque, Eudenilson L, Oliveira, Jonas I. N
Published in The journal of physical chemistry. B (01.08.2019)
Published in The journal of physical chemistry. B (01.08.2019)
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Journal Article
In silico approach of modified melanoma peptides and their immunotherapeutic potential
Pereira, A C L, Bezerra, K S, Santos, J L S, I N Oliveira, J, Freire, V N, Fulco, U L
Published in Physical chemistry chemical physics : PCCP (04.02.2021)
Published in Physical chemistry chemical physics : PCCP (04.02.2021)
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Journal Article
Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry
Bezerra, Eveline M, de Alvarenga, Érika C, dos Santos, Ricardo P, de Sousa, Jeanlex S, Fulco, Umberto L, Freire, Valder N, Albuquerque, Eudenilson L, da Costa, Roner F
Published in RSC advances (05.10.2022)
Published in RSC advances (05.10.2022)
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Journal Article