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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. Nunes, E. Bezerra, R. da Costa, A. Martins, E. Caetano, V. Freire, and C. Gottfried. ACS CHEMICAL NEUROSCIENCE, 7 (10): 1331-1347 (2016)
DOI: 10.1021/acschemneuro.6b00074

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S. W. Armfield The University of Sydney

Andreas W S Jarosch

Patrick W S Okanya

Caetano Sauer

Luciano Caetano Rosa

Other publications of authors with the same name

First-generation antipsychotic haloperidol: optical absorption measurement and structural, electronic, and optical properties of its anhydrous monoclinic crystal by first-principle approachesG. Zanatta, M. da Silva, J. da Silva, R. dos Santos, F. Sales, C. Gottfried, E. Caetano, and V. Freire. NEW JOURNAL OF CHEMISTRY, 42 (16): 13629-13640 (2018)Quantum molecular modelling of ibuprofen bound to human serum albuminD. Dantas, J. Oliveira, J. Neto, R. da Cost, E. Bezerra, V. Freire, E. Caetano, U. Fulco, and E. Albuquerque. RSC ADVANCES, 5 (61): 49439-49450 (2015)Inactivation of Ovine Cyclooxygenase-1 by Bromoaspirin and Aspirin: A Quantum Chemistry DescriptionI. Barroso-Neto, J. Marques, R. da Costa, E. Caetano, B. Cavada, C. Gottfried, and V. Freire. JOURNAL OF PHYSICAL CHEMISTRY B, 116 (10): 3270-3279 (2012)Two-Level Adsorption of Ibuprofen on C-60 Fullerene for Transdermal Delivery: Classical Molecular Dynamics and Density Functional Theory ComputationsA. Hadad, D. Azevedo, E. Caetano, V. Freire, G. Mendonca, P. Neto, E. Albuquerque, R. Margis, and C. Gottfried. JOURNAL OF PHYSICAL CHEMISTRY C, 115 (50): 24501-24511 (2011)Energetic description of cilengitide bound to integrinJ. Neto, K. Bezerra, D. Manso, K. Mota, J. Oliveira, E. Albuquerque, E. Caetano, V. Freire, and U. Fulco. NEW JOURNAL OF CHEMISTRY, 41 (19): 11405-11412 (2017)mTOR-mLST8 interaction: hot spot identification through quantum biochemistry calculationsF. de Oliveira, J. Carletti, F. Azevedo, F. de Sousa, E. Caetano, V. Freire, and G. Zanatta. NEW JOURNAL OF CHEMISTRY, 44 (48): 20982-20992 (2020)Controlled Release of Nor--lapachone by PLGA Microparticles: A Strategy for Improving Cytotoxicity against Prostate Cancer CellsM. Costa, A. Feitosa, F. Oliveira, B. Cavalcanti, E. da Silva Jr., G. Dias, F. Sales, B. Sousa, I. Barroso-Neto, C. Pessoa and 5 other author(s). MOLECULES, (2016)Quantum binding energy features of the T3-785 collagen-like triple-helical peptideK. Bezerra, J. Oliveira, J. Neto, E. Albuquerque, E. Caetano, V. Freire, and U. Fulco. RSC ADVANCES, 7 (5): 2817-2828 (2017)Optical Absorption of the Antitrypanocidal Drug Benznidazole in WaterE. Bezerra, J. Bezerra-Neto, F. Sales, R. dos Santos, A. Martins, P. de Lima-Neto, E. Caetano, E. Albuquerque, and V. Freire. MOLECULES, 19 (4): 4145-4156 (2014)Structural, electronic and optical properties of monoclinic Na2Ti3O7 from density functional theory calculations: A comparison with XRD and optical absorption measurementsA. Araujo-Filho, F. Silva, A. Righi, M. da Silva, B. Silva, E. Caetano, and V. Freire. JOURNAL OF SOLID STATE CHEMISTRY, (2017)

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Disambiguation of "Caetano, Ewerton W S"