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Roner Ferreira da Costa
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Explaining statin inhibition effectiveness of HMG-CoA reductase by quantum biochemistry computations
RF da Costa, VN Freire, EM Bezerra, BS Cavada, EWS Caetano, ...
Physical Chemistry Chemical Physics 14 (4), 1389-1398, 2012
952012
Quantum molecular modelling of ibuprofen bound to human serum albumin
DS Dantas, JIN Oliveira, JXL Neto, RF da Costa, EM Bezerra, VN Freire, ...
RSC Advances 5 (61), 49439-49450, 2015
492015
Antipsychotic haloperidol binding to the human dopamine D3 receptor: Beyond docking through QM/MM refinement toward the design of improved schizophrenia medicines
G Zanatta, G Nunes, EM Bezerra, RF da Costa, A Martins, EWS Caetano, ...
ACS Chemical Neuroscience 5 (10), 1041-1054, 2014
442014
Quantum biochemistry description of the human dopamine D3 receptor in complex with the selective antagonist eticlopride
G Zanatta, IL Barroso-Neto, V Bambini-Junior, MF Dutra, EM Bezerra, ...
J Proteomics Bioinform 5, 155-162, 2012
332012
A quantum biochemistry investigation of willardiine partial agonism in AMPA receptors
JXL Neto, UL Fulco, EL Albuquerque, G Corso, EM Bezerra, ...
Physical Chemistry Chemical Physics 17 (19), 13092-13103, 2015
292015
Inactivation of ovine cyclooxygenase-1 by bromoaspirin and aspirin: a quantum chemistry description
IL Barroso-Neto, JPC Marques, RF da Costa, EWS Caetano, BS Cavada, ...
The Journal of Physical Chemistry B 116 (10), 3270-3279, 2012
292012
The quantum biophysics of the isoniazid adduct NADH binding to its InhA reductase target
TC da Silva Ribeiro, RF da Costa, EM Bezerra, VN Freire, ML Lyra, ...
New Journal of Chemistry 38 (7), 2946-2957, 2014
232014
Two binding geometries for risperidone in dopamine D3 receptors: Insights on the fast-off mechanism through docking, quantum biochemistry, and molecular dynamics simulations
G Zanatta, G Della Flora Nunes, EM Bezerra, RF da Costa, A Martins, ...
ACS Chemical Neuroscience 7 (10), 1331-1347, 2016
202016
Rose Bengal incorporated to α-cyclodextrin microparticles for photodynamic therapy against the cariogenic microorganism Streptococcus mutans
FJR Alexandrino, EM Bezerra, RF Da Costa, LRL Cavalcante, FAM Sales, ...
Photodiagnosis and Photodynamic Therapy 25, 111-118, 2019
182019
As nanopartículas como ferramentas biológicas: uma revisão exploratória
RLF Melo, IC da Cósta Souza, AJR Carvalho, EM Bezerra, RF da Costa
Research, Society and Development 9 (7), e363974155-e363974155, 2020
102020
Antitumor Potential of the Isoflavonoids (+)-and (−)-2, 3, 9-Trimethoxypterocarpan: Mechanism-of-Action Studies
K Farias, RF da Costa, AS Meira, J Diniz-Filho, EM Bezerra, VN Freire, ...
ACS Medicinal Chemistry Letters 11 (6), 1274-1280, 2020
72020
Molecular fractionation with conjugate caps study of the interaction of the anacardic acid with the active site of trypanosoma cruzi gapdh Enzyme: a quantum investigation
MM Marinho, RP Santos, EM Bezerra, RF Costa, CS Figueira, ...
Asian Journal of Pharmaceutical and Clinical Research, 2019
72019
Interaction energy profile for diphenyl diselenide in complex with δ-aminolevulinic acid dehydratase enzyme using quantum calculations and a molecular fragmentation method
RA Saraiva, PA Nogara, RF Costa, EM Bezerra, HNH Veras, ...
Computational Toxicology 7, 9-19, 2018
52018
Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry
EM Bezerra, ÉC de Alvarenga, RP Dos Santos, JS de Sousa, UL Fulco, ...
RSC advances 12 (44), 28395-28404, 2022
32022
In silico description of the adsorption of cell signaling pathway proteins ovalbumin, glutathione, LC3, TLR4, ASC PYCARD, PI3K and NF-Kβ on 7.0 nm gold nanoparticles: obtaining …
MM Coelho, EM Bezerra, RF da Costa, ÉC de Alvarenga, VN Freire, ...
RSC advances 13 (50), 35493-35499, 2023
12023
Propriedades vibracionais e ópticas da cisteína em solução aquosa com variação de pH: uma comparação entre resultados teóricos e experimentais
J VIEIRA, AA CÂMARA, EM BEZERRA, RF COSTA, FA SALES, ...
Blucher Chemistry Proceedings 3 (1), 309-317, 2015
12015
Propriedades estruturais, eletrônicas e vibracionais da molécula do herbicida Glifosato.
AAS CÂMARA, EL OLIVEIRA, RF COSTA, FFM JÚNIOR, EM BEZERRA, ...
Blucher Chemistry Proceedings 3 (1), 283-291, 2015
12015
Formação da corona de lisozima e albumina em nanopartículas de ouro via modelagem molecular
RLF Melo
Universidade Federal Rural do Semi-Árido, 2019
2019
Quantum analysis/improvement of antipsychotic's docking results
G Nunes, G Zanatta, EM Bezerra, RF da Costa, VN Freire, CC Gottfried
The FASEB Journal 27, 810.9-810.9, 2013
2013
Avaliação físico-química e microbiológica de águas minerais comercializadas em Belém-Pará.
JJ SILVEIRA NETA, RA Mattietto, AV Carvalho, RF da COSTA, ACC Lima
In: SIMPÓSIO DE SEGURANÇA ALIMENTAR, 4., 2012, Gramado. Retorno às origens …, 2012
2012
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