Browsing by Author Ramalho, Teodorico Castro

Jump to: 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
or enter first few letters:  
Showing results 1 to 20 of 43  next >
Issue DateTitleAuthor(s)
27-Jul-20214D-QSAR models applied to the study of TGF- β1 receptor inhibitorsAssis, Tamiris Maria de; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2013Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestisFrança, Tanos Celmar Costa; Guimarães, Ana Paula; Cortopassi, Wilian Augusto; Oliveira, Aline Alves; Ramalho, Teodorico Castro
2022Association phosphite x fungicide: protection against powdery mildew in soybean plants, translocation and computer simulationVilela, Ariana Elisei; Resende, Mário Lúcio Vilela de; Medeiros, Fernanda Carvalho Lopes de; Pereira, Matheus Henrique de Brito; Santiago, Wilder Douglas; Santos, Lucas de Azevedo; Botelho, Deila Magna dos Santos; Ramalho, Teodorico Castro
2019Design of inhibitors of thymidylate kinase from Variola virus as new selective drugs against smallpox: part IIGarcia, Danielle Rodrigues; Souza, Felipe Rodrigues de; Guimarães, Ana Paula; Ramalho, Teodorico Castro; Aguiar, Alcino Palermo de; França, Tanos Celmar Costa
2011Docking studies and effects of syn-anti isomery of oximes derived from pyridine imidazol bicycled systems as potential human acetylcholinesterase reactivatorsGuimarães, Ana Paula; França, Tanos Celmar Costa; Ramalho, Teodorico Castro; Rennó, Magdalena Nascimento; Matos, Karina Silvia; Mancini, Daiana Teixeira; Kuča, Kamil
2020Enhancing NMR quantum computation by exploring heavy metal complexes as multiqubit systems: a theoretical investigationLino, Jéssica Boreli dos Reis; Sauer, Stephan P. A.; Ramalho, Teodorico Castro
2019Experimental and theoretical studies of solvent polarity influence on the preparation of molecularly imprinted polymers for the removal of estradiol from waterXavier, Leandro Pablo dos Santos; Dias, Ana Carolina; Baeta, Bruno Eduardo Lobo; Santos, Lucas de Azevedo; Ramalho, Teodorico Castro; Aquino, Sérgio Francisco de; Silva, Adilson Candido da
2019Exploring through-space spin-spin couplings for quantum information processing: facing the challenge of coherence time and control quantum statesLino, Jéssica Boreli dos Reis; Ramalho, Teodorico Castro
2022Extending NMR quantum computation systems by employing compounds with several heavy metals as qubitsLino, Jéssica Boreli dos Reis; Gonçalves, Mateus Aquino; Sauer, Stephan P. A.; Ramalho, Teodorico Castro
Oct-2018Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculationsAssis, Letícia C.; Castro, Alexandre A. de; Prandi, Ingrid G.; Mancini, Daiana T.; Giacoppo, Juliana O. S. de; Savedra, Ranylson M. L.; Assis, Tamiris M. de; Carregal, Juliano B.; Cunha, Elaine F. F. da; Ramalho, Teodorico Castro
Dec-2021Interactions of ozone-functionalized activated charcoal with SARS-Cov-2 proteases using molecular docking and dynamicsAraújo, Hérica Daniele Costa; Arouche, Tiago da Silva; Carvalho Junior, Raul Nunes de; Ramalho, Teodorico Castro; Borges, Rosivaldo dos Santos; Oliveira, Mozaniel Santana de; Marques, Francisco das Chagas; Chaves Neto, Antonio Maia de Jesus
Jul-2019Methane activation by CoOn+m (n=0, 1, 2; m= 1, 2): reactivity parameters, electronic properties and binding energy analysisSilva, Telles Cardoso; Pires, Maíra dos Santos ; Castro, Alexandre Alves de ; Lacerda, Lívia Clara Tavares; Rocha, Marcus Vinícius Juliaci; Ramalho, Teodorico Castro
2019Molecular modeling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime, 4-PA, 2-PAM, and obidoxime with VX-inhibited human acetylcholinesterase: a near attack conformation approachSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2019Molecular modelling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime with VX-inhibited human acetylcholinesterase: a near attack approach to assess different spacer-lengthsSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2017Organophosphorus degrading enzymes: molecular basis and perspectives for enzymatic bioremediation of agrochemicalsCastro, Alexandre Alves de; Prandi, Ingrid Guarnetti; Kuca, Kamil; Ramalho, Teodorico Castro
4-Nov-2020Parameterization and validation of a new force field for Pt(II) complexes of 2-(4′-amino-2′-hydroxyphenyl)benzothiazolePereira, Ander Francisco; Prandi, Ingrid Guarnetti; Ramalho, Teodorico Castro
7-Aug-2021Photocatalytic degradation of methylene blue dye by TiO2 supported on magnetic core shell (Si@Fe) surfaceMoura, Stéfany Gonçalves de; Ramalho, Teodorico Castro; Oliveira, Luiz Carlos Alves de; Dauzakier, Ligiane Carolina Leite; Magalhães, Fabiano
2014Preventing the return of smallpox: molecular modeling studies on thymidylate kinase from Variola virusGuimarães, Ana Paula; Ramalho, Teodorico Castro; França, Tanos Celmar Costa
Feb-2016Probing the ESIPT process in 2-amino-1,4-naphthoquinone: thermodynamics properties, solvent effect and chemometric analysisRocha, Eduardo Pereira; Ramalho, Teodorico Castro
2016QSAR models guided by molecular dynamics applied to human glucokinase activatorsAssis, Tamiris Maria de; Gajo, Giovanna Cardoso; Assis, Letícia Cristina de; Garcia, Letícia Santos; Silva, Daniela Rodrigues; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da