Navegando por Autor Ramalho, Teodorico Castro

Ir para: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
ou entre com as primeiras letras:  
Mostrando resultados 21 a 40 de 43 < Anterior   Próximo >
Data do documentoTítuloAutor(es)
2018QSAR study of N-Myristoyltransferase inhibitors of antimalarial agentsSantos-Garcia, Letícia; Mecenas Filho, Marco Antônio de; Musilek, Kamil; Kuca, Kamil; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2017QSPR Models of β-dihydroagarofuran derivatives: exploring lead compounds for pesticidesCunha, Elaine Fontes Ferreira da; Silva, Daniela Rodrigues; Santos-Garcia, Letícia; Assis, Letícia Cristina; Assis, Tamiris Maria de; Gajo, Giovanna Cardoso; Ramalho, Teodorico Castro
Jul-2019Quantification of molecular orbitals based on projection operators: methodological development and applications to basicity prediction of organic compounds in the gas phaseBraga, Letícia Santos; Moreira, Rodrigo A; Leal, Daniel Henriques Soares; Ramalho, Teodorico Castro
2016Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitorsGajo, Giovanna Cardoso; Assis, Tamiris Maria de; Assis, Letícia Cristina; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2022Rationalising the regioselectivity of substituted phenols from the FERMO concept: stereoelectronic effects on protonation and functionalizationBraga, Letícia Santos; Leal, Daniel Henriques Soares; Ramalho, Teodorico Castro
2020Reactivation of VX-inhibited human acetylcholinesterase by deprotonated pralidoxime. a complementary quantum mechanical studySilva, Jorge Alberto Valle da; Pereira, Ander Francisco; LaPlante, Steven R.; Kuca, Kamil; Ramalho, Teodorico Castro; França, Tanos Celmar Costa
2014Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methodsGonçalves, Arlan da Silva; França, Tanos Celmar Costa; Caetano, Melissa Soares Melissa Soares; Ramalho, Teodorico Castro
19-Abr-2021Regulation of protein synthesis: an approach to treat Autistic Spectrum Disorder (ASD)Teixeira, Jéssika Poliana; Ramalho, Teodorico Castro
2020Relaxation parameters of water molecules coordinated with Gd(III) complexes and hybrid materials based on δ-FeOOH (100) nanoparticles: a theoretical study of hyperfine inter-actions for CAs in MRIGonçalves, Mateus Aquino; Ramalho, Teodorico Castro
2010SAMTa - Uma nova proposta para análise computacional de dinâmicas molecularesCarvalho, Bernardo de Assis; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da; Lago, Daniel Guimarães do
2023A simple methodology for obtaining novel heterojunction photocatalyst NiO/δ-FeOOH: a theoretical and experimental studyBonesio, Mariana de Rezende; Nogueira, Francisco Guilherme Esteves; Mancini, Daiana Teixeira; Ribeiro, Lucas S.; Ramalho, Teodorico Castro
15-Mar-2018Structural analysis of two tetraketones and theoretical investigation of the reactions involved in their preparationSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Santos, Lucas de Azevedo; Martins, Felipe Terra; Ramalho, Teodorico Castro
Nov-2018Structure and bonding in NbX5 X = (F, Cl, Br and I) complexes: a molecular orbital perspective in the C-H bond activationSilva, Telles Cardoso; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Lacerda, Lívia Clara Tavares; Rocha, Marcus Vinícius Juliaci; Ramalho, Teodorico Castro
Nov-2016Structure-based drugs design studies on spleen tyrosine kinase inhibitorsAssis, Letícia Cristina; Garcia, Letícia Santos; Mancini, Daiana Teixeira; Assis, Tamiris Maria; Silva, Daniela Rodrigues; Cardoso, Giovanna Gajo; Castro, Alexandre Alves de; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
-Study of the influence of pH and of the interactions involved in etheramine removal in kaolinite: insights about adsorption mechanismMagriotis, Zuy Maria; Sales, Priscila Ferreira de; Ramalho, Teodorico Castro; Rocha, Marcus Vinícius Juliaci; Leal, Paulo Vitor Brandão
Jan-2020Synthesis and special characterization through X-ray analysis of 1,8-dioxooctahydroxanthenesSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Azevedo Santos, Lucas de; Martins, Felipe Terra; Ramalho, Teodorico Castro
7-Mai-2018Synthesis, biological evaluation and docking studies of novel bisquaternary aldoxime reactivators on acetylcholinesterase and butyrylcholinesterase inhibited by paraoxonKuca, Kamil; Jun, Daniel; Junova, Lucie; Musilek, Kamil; Hrabinova, Martina; Silva, Jorge Alberto Valle da; Ramalho, Teodorico Castro; Valko, Marian; Wu, Qinghua; Nepovimova, Eugenie; França, Tanos Celmar Costa
1-Nov-2021Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its implications for the treatment of COVID-19Assis, Letícia Cristina; Castro, Alexandre Alves de; Jesus, João Paulo Almirão de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Krejcar, Ondrej; Kuca, Kamil; Ramalho, Teodorico Castro; La Porta, Felipe de Almeida
Fev-2017Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane c-h bond activationSilva, Telles Cardoso; Almeida, Katia Júlia de; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Gonçalves, Mateus Aquino; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico Castro
2020Theoretical studies aimed at finding FLT3 inhibitors and a promising compound and molecular pattern with dual aurora B/FLT3 activityFernandes, Ítalo Antônio; Resende, Déborah Braga; Ramalho, Teodorico Castro; Kuca, Kamil; Cunha, Elaine Fontes Ferreira da