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Data do documentoTítuloAutor(es)
2013Bonding, structure, and stability of Na n Phe m n clusters: some surprising results from an experimental and theoretical investigation in gas phaseCaetano, Melissa Soares; Ramalho, Teodorico de Castro; Vieira, Tales Giuliano; Gonçalves, Arlan da Silva; Mancini, Daiana Teixeira; Cunha, Elaine Fontes Ferreira da
2019Chitosan-iron oxide hybrid composite: mechanism of hexavalent chromium removal by central composite design and theoretical calculationsChagas, Pricila Maria Batista; Caetano, Aline Aparecida; Rossi, Marco Aurélio; Gonçalves, Mateus Aquino; Ramalho, Teodorico de Castro; Corrêa, Angelita Duarte; Guimarães, Iara do Rosário
Jan-2020Computational design of synthetic receptors for drug detection: interaction between molecularly imprinted polymers and MDMA (3,4-methylenedioxymethamphetamine)Sales, Thais Aparecida; Ramalho, Teodorico de Castro
2020Current anti-inflammatory therapies and the potential of secretory phospholipase A2 inhibitors in the design of new anti-inflammatory drugs: a review of 2012 - 2018Sales, Thais Aparecida; Marcussi, Silvana; Ramalho, Teodorico de Castro
Abr-2014Cyclodextrin/silica hybrid adsorbent for removal of methylene blue in aqueous mediaCarvalho, Lucas Bragança de; Carvalho, Tauana Garcia; Magriotis, Zuy Maria; Ramalho, Teodorico de Castro; Pinto, Luciana de Matos Alves
Ago-2019Disarming Pseudomonas aeruginosa Virulence by the Inhibitory Action of 1,10-Phenanthroline-5,6-Dione-Based Compounds: Elastase B (LasB) as a Chemotherapeutic TargetGaldino, Anna Clara Milesi; Viganor, Lívia; Castro, Alexandre Alves de; Cunha, Elaine F. F. da; Mello, Thaís P.; Feijó, Larissa Mattos; Pereira, Marcos D.; Hunt, Mary C.; O'Shaughnessy, Megan Sarah; Howe, Orla; Michael, Devereux; McCann, Malachy; Ramalho, Teodorico de Castro; Branquinha, Marta Helena; Santos, André L. S.
2023Editorial: new opportunities in drug design for the management and treatment of type 2 diabetesRasouli, Hassan; Ramalho, Teodorico de Castro; Popović-Djordjević, Jelena B.; Devkota, Hari Prasad
7-Out-2021Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspectiveJesus, João Paulo Almirão de; Assis, Letícia Cristina; Castro, Alexandre Alves de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico de Castro; La Porta, Felipe de Almeida
2018Electrocatalytic performance of different cobalt molybdate structures for water oxidation in alkaline mediaRodriguez, Mariandry; Stolzemburg, Matheus C. P.; Bruziquesi, Carlos G. O.; Silva, Adilson C.; Abreu, Cíntia G.; Siqueira, Kisla P. F.; Oliveira, Luiz C. A.; Pires, Maíra S.; Lacerda, Lívia C. T.; Ramalho, Teodorico de Castro; Dias, Anderson; Pereira, Márcio C.
Dez-2013Employing conformational analysis in the molecular modeling of agrochemicals: insights on QSAR parameters of 2,4-DFreitas, Matheus Puggina de; Ramalho, Teodorico de Castro
Out-2020Experimental and theoretical affinity and catalysis studies between halogenated phenols and peroxidases: understanding the bioremediation potentialBretz, Raphael Resende; Castro, Alexandre A. de; Ferreira, Igor F. Lara; Ramalho, Teodorico de Castro; Silva, Maria Cristina
2019Experimental hydrophilic reactivator: bisoxime with three positive chargesKuca, Kamil; Nepovimova, Eugenie; Wu, Qinghua; Souza, Felipe Rodrigues de; Ramalho, Teodorico de Castro; Franca, Tanos Celmar Costa; Musilek, Kamil
Abr-2010Host–guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling studyGrillo, Renato; Melo, Nathalie F. S. de; Araújo, Daniele R. de; Trossini, Gustavo H. G.; Cunha, Elaine F. F. da; Ramalho, Teodorico de Castro; Fraceto, Leonardo Fernandes
2022Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamicsAlencar, Wilson Luna Machado; Arouche, Tiago da Silva; Gomes Neto, Abel Ferreira; Ramalho, Teodorico de Castro; Carvalho Júnior, Raul Nunes de; Chaves Neto, Antonio Maia de Jesus
2020Iron and molybdenum mixed oxide supported on Al-PILC for the catalytic oxidative desulfurization of dibenzothiophene in simulated diesel fuelTireli, Aline Auxiliadora; Guimarães, Iara do Rosário; Castro, Guilherme Mello Mattos de; Gonçalves, Mateus Aquino; Ramalho, Teodorico de Castro; Guerreiro, Mário Cesar
Abr-2021Molecular docking of Azithromycin, Ritonavir, Lopinavir, Oseltamivir, Ivermectin and Heparin interacting with coronavirus disease 2019 main and severe acute respiratory syndrome coronavirus-2 3C-like proteasesArouche, Tiago da Silva; Martins, Anderson Yuri; Ramalho, Teodorico de Castro; Carvalho Júnior, Raul Nunes; Costa, Fabio Luiz Paranhos; Andrade Filho, Tarciso Silva de; Chaves Neto, Antonio Maia Jesus
-MOLPROJ - Molecular orbital analysis by projection operatorsLeal, Daniel Henriques Soares; Braga, Letícia Santos; Silva, Rodrigo Azevedo Moreira da; Ramalho, Teodorico de Castro
Jun-2011Nanostructured δ-FeOOH: a novel photocatalyst for water splittingPereira, Márcio César; Garcia, Eric Marsalha; Silva, Adilson Cândido da; Lorençon, Eudes; Ardisson, José Domingos; Murad, Enver; Fabris, José Domingos; Matencio, Tulio; Ramalho, Teodorico de Castro; Rocha, Marcus Vinícius J.
2017Novel eco-friendly biocatalyst: soybean peroxidase immobilized onto activated carbon obtained from agricultural wasteTorres, J. A.; Nogueira, F. G. E.; Silva, M. C.; Lopes, J. H.; Tavares, T. S.; Ramalho, Teodorico de Castro; Correa, Angelita Duarte
2023Oxidative biotransformation of organophosphotioate pesticides and acetylcholinesterase enzymatic inhibitionMilitani, Isabela Aparecida; Mancini, Daiana Teixeira; Castro, Alexandre Alves de; Ramalho, Teodorico de Castro