New ethionamide boosters and EthR2: structural and energetic analysis von 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

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Blockade of the checkpoint PD-1 by its ligand PD-L1 and the immuno-oncological drugs pembrolizumab and nivolumab von Tavares, Ana Beatriz M. L. A, Lima Neto, J. X, Fulco, U. L, Albuquerque, E. L

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Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis von Bezerra, K. S, Vianna, J. F, Lima Neto, J. X, Ivan Nobre Oliveira, J, Albuquerque, E. L, Fulco, U. L

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DFT investigation of the solid-state properties and Hirshfeld surface analysis of antidiabetic drugs: Acetohexamide and Tolazamide von Araújo, R.L., Lima Neto, J.X., Fulco, U.L., Oliveira, J.I.N., Lyra, M.L., Manzoni, V.

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Quantum Biochemical Investigation of Lys49-PLA2 from Bothrops moojeni von Barbosa, E D, Lima Neto, J X, Bezerra, K S, Oliveira, J I N, Machado, L D, Fulco, U L

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Quantum Biochemical Investigation of Lys49-PLA 2 from Bothrops moojeni von Barbosa, E D, Lima Neto, J X, Bezerra, K S, Oliveira, J I N, Machado, L D, Fulco, U L

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First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline von Araújo, R. L., Lima Neto, J. X., Barboza, C. A., Oliveira, J. I. N., Tromer, R. M., Henriques, J. M., Fulco, U. L.

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Exploring human porphobilinogen synthase metalloprotein by quantum biochemistry and evolutionary methods von Barbosa, E D, Neto, J X Lima, Teixeira, D G, Bezerra, K S, do Amaral, V S, Oliveira, J I N, Lima, J P M Santos, Machado, L D, Fulco, U L

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Computational investigation of the α2β1 integrin–collagen triple helix complex interaction (This document is a collaborative effort of all authors.) von Bezerra, K S, Lima Neto, J X, Oliveira, J I N, Albuquerque, E L, Caetano, E W S, Freire, V N, Fulco, U L

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Electronic transport in methylated fragments of DNA von de Almeida, M. L., Oliveira, J. I. N., Lima Neto, J. X., Gomes, C. E. M., Fulco, U. L., Albuquerque, E. L., Freire, V. N., Caetano, E. W. S., de Moura, F. A. B. F., Lyra, M. L.

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Insights into solid-state properties of dopamine and L-Dopa hydrochloride crystals through DFT calculations von Araújo, R.L., Lima Neto, J.X., Henriques, J.M., Tromer, R.M., Barboza, C.A., Oliveira, J.I.N., Fulco, U.L.

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A quantum biochemistry model of the interaction between the estrogen receptor and the two antagonists used in breast cancer treatment von Mota, K.B., Lima Neto, J.X., Lima Costa, A.H., Oliveira, J.I.N., Bezerra, K.S., Albuquerque, E.L., Caetano, E.W.S., Freire, V.N., Fulco, U.L.

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Computational investigation of the α2β1 integrin-collagen triple helix complex interactionThis document is a collaborative effort of all authors von Bezerra, K. S, Lima Neto, J. X, Oliveira, J. I. N, Albuquerque, E. L, Caetano, E. W. S, Freire, V. N, Fulco, U. L

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Computational investigation of the α 2 β 1 integrin–collagen triple helix complex interaction von Bezerra, K. S., Lima Neto, J. X., Oliveira, J. I. N., Albuquerque, E. L., Caetano, E. W. S., Freire, V. N., Fulco, U. L.

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A quantum chemistry investigation of a potential inhibitory drug against the dengue virus von Ourique, G. S, Vianna, J. F, Neto, J. X. Lima, Oliveira, J. I. N, Mauriz, P. W, Vasconcelos, M. S, Caetano, E. W. S, Freire, V. N, Albuquerque, E. L, Fulco, U. L

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Three vs Twelve Months of Dual Antiplatelet Therapy After Zotarolimus-Eluting Stents: The OPTIMIZE Randomized Trial von Feres, Fausto, Costa, Ricardo A, Abizaid, Alexandre, Leon, Martin B, Marin-Neto, J. Antônio, Botelho, Roberto V, King, Spencer B, Negoita, Manuela, Liu, Minglei, de Paula, J. Eduardo T, Mangione, José A, Meireles, George X, Castello, Hélio J, Nicolela, Eduardo L, Perin, Marco A, Devito, Fernando S, Labrunie, André, Salvadori, Décio, Gusmão, Marcos, Staico, Rodolfo, Costa, J. Ribamar, de Castro, Juliana P, Abizaid, Andrea S, Bhatt, Deepak L

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Design, synthesis, molecular docking and biological evaluation of thiophen-2-iminothiazolidine derivatives for use against Trypanosoma cruzi von Silva-Júnior, E.F., Silva, E.P.S., França, P.H.B., Silva, J.P.N., Barreto, E.O., Silva, E.B., Ferreira, R.S., Gatto, C.C., Moreira, D.R.M., Siqueira-Neto, J.L., Mendonça-Júnior, F.J.B., Lima, M.C.A., Bortoluzzi, J.H., Scotti, M.T., Scotti, L., Meneghetti, M.R., Aquino, T.M., Araújo-Júnior, J.X.

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Endovascular Therapy for Stroke Due to Basilar-Artery Occlusion von Langezaal, Lucianne C.M, van der Hoeven, Erik J.R.J, Mont’Alverne, Francisco J.A, de Carvalho, João J.F, Lima, Fabrício O, Dippel, Diederik W.J, van der Lugt, Aad, Lo, Rob T.H, Boiten, Jelis, Lycklama à Nijeholt, Geert J, Staals, Julie, van Zwam, Wim H, Nederkoorn, Paul J, Majoie, Charles B.L.M, Gerber, Johannes C, Mazighi, Mikael, Piotin, Michel, Zini, Andrea, Vallone, Stefano, Hofmeijer, Jeannette, Martins, Sheila O, Nolte, Christian H, Szabo, Kristina, Dias, Francisco A, Abud, Daniel G, Wermer, Marieke J.H, Remmers, Michel J.M, Schneider, Hauke, Rueckert, Christina M, de Laat, Karlijn F, Yoo, Albert J, van Doormaal, Pieter-Jan, van Es, Adriaan C.G.M, Emmer, Bart J, Michel, Patrik, Puetz, Volker, Audebert, Heinrich J, Pontes-Neto, Octavio M, Vos, Jan-Albert, Kappelle, L. Jaap, Algra, Ale, Schonewille, Wouter J

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Redox Center Modification of Lapachones towards the Synthesis of Nitrogen Heterocycles as Selective Fluorescent Mitochondrial Imaging Probes von dos Santos, Fabíola S., Dias, Gleiston G., de Freitas, Rossimiriam P., Santos, Lucas S., de Lima, Guilherme F., Duarte, Hélio A., de Simone, Carlos A., Rezende, Lidia M. S. L., Vianna, Monique J. X., Correa, José R., Neto, Brenno A. D., da Silva Júnior, Eufrânio N.

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Thiazine-derived compounds in inhibiting efflux pump in Staphylococcus aureus K2068, mepA gene expression, and membrane permeability alteration von Freitas, Priscilla R., de Araújo, Ana C.J., Araújo, Isaac M., de Almeida, Ray S., Borges, João A.O., Paulo, Cícera L.R., Oliveira-Tintino, Cícera D.M., Miranda, Gustavo M., Araújo-Neto, José B., Nascimento, Igor J.S., Araújo-Júnior, João X., Silva, Julia M.A., Balbino, Tereza C.L., Silva-Júnior, Edeildo F., Aquino, Thiago M., Mendonca-Junior, Francisco J.B., Marinho, Emmanuel S., Santos, Hélcio S., Lima, Clara Mariana Gonçalves, Obaidullah, Ahmad J., Bin Emran, Talha, Cunha, Francisco A.B., Menezes, Irwin R.A., Tintino, Saulo R., Coutinho, Henrique D.M.

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