O Papel dos Modelos Computacionais e das Analogias na Aprendizagem do Processo de Interação Fármaco-Enzima no Ensino Fundamentado em Modelagem
Martins, Diego, Mozzer, Nilmara Braga, Oliveira, Thais Mara Anastácio, Caetano, Melissa Soares
Published in Revista Brasileira de Pesquisa em Educação em Ciências (25.08.2020)
Published in Revista Brasileira de Pesquisa em Educação em Ciências (25.08.2020)
Get full text
Journal Article
Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods
da Silva Gonçalves, Arlan, França, Tanos Celmar Costa, Caetano, Melissa Soares, Ramalho, Teodorico Castro
Published in Journal of biomolecular structure & dynamics (01.02.2014)
Published in Journal of biomolecular structure & dynamics (01.02.2014)
Get full text
Journal Article
Design, synthesis, molecular modelling, and in vitro evaluation of tricyclic coumarins against Trypanosoma cruzi
Coelho, Gleicekelly Silva, Andrade, Josimara Souza, Xavier, Viviane Flores, Sales Junior, Policarpo Ademar, Rodrigues de Araujo, Barbara Caroline, Fonseca, Kátia da Silva, Caetano, Melissa Soares, Murta, Silvane Maria Fonseca, Vieira, Paula Melo, Carneiro, Claudia Martins, Taylor, Jason Guy
Published in Chemical biology & drug design (01.03.2019)
Published in Chemical biology & drug design (01.03.2019)
Get full text
Journal Article
Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculations
de Castro, Alexandre A., Soares, Flávia Villela, Pereira, Ander Francisco, Silva, Telles Cardoso, Silva, Daniela Rodrigues, Mancini, Daiana Teixeira, Caetano, Melissa Soares, da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of biomolecular structure & dynamics (24.05.2019)
Published in Journal of biomolecular structure & dynamics (24.05.2019)
Get full text
Journal Article
Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculations
Silva, Telles Cardoso, dos Santos Pires, Maíra, de Castro, Alexandre Alves, da Cunha, Elaine F. F., Caetano, Melissa Soares, Ramalho, Teodorico C.
Published in Medicinal chemistry research (01.11.2015)
Published in Medicinal chemistry research (01.11.2015)
Get full text
Journal Article
Construction and assessment of reaction models of Class I EPSP synthase. Part II: investigation of the EPSP ketal
Caetano, Melissa Soares, Freitas, Matheus P., da Cunha, Elaine F.F., Ramalho, Teodorico C.
Published in Journal of biomolecular structure & dynamics (01.04.2013)
Published in Journal of biomolecular structure & dynamics (01.04.2013)
Get full text
Journal Article
Molecular modelling of Mycobacterium tuberculosis acetolactate synthase catalytic subunit and its molecular docking study with inhibitors
Souza, Thais C.S., Josa, Daniela, Ramalho, Teodorico C., Caetano, Melissa Soares, da Cunha, Elaine F.F.
Published in Molecular simulation (01.06.2008)
Published in Molecular simulation (01.06.2008)
Get full text
Journal Article