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Coleção's Items (Ordenado por Data de depósito na Descendente ordem): 581 para 600 de 1222
Data do documentoTítuloAutor(es)
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
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
Set-2019Molecular interactions between p‐coumaric acid and snake venom toxinsCesar, Pedro H. S.; Trento, Marcus Vinícius Cardoso; Sales, Thais A.; Marques, Tamara R.; Braga, Mariana A.; Ramalho, Teodorico C.; Marcussi, Silvana
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
2019First attempts of the use of 195Pt NMR of phenylbenzothiazole complexes as spectroscopic technique for the cancer diagnosisPereira, Bruna T. L.; Gonçalves, Mateus A.; Mancini, Daiana T.; Kuca, Kamil; Ramalho, Teodorico C.
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
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
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
2019Esterase 2 as a fluorescent biosensor for the detection of organophosphorus compounds: docking and electronic insights from molecular dynamicsPrandi, Ingrid G.; Ramalho, Teodorico C.; França, Tanos C. C.
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
Dez-2019Could quantum mechanical properties be reflected on classical molecular dynamics? The case of halogenated organic compounds of biological interestSantos, Lucas de Azevedo; Prandi, Ingrid G.; Ramalho, Teodorico C.
15-Mar-2019The Perlin effect in 2-halocyclohexanones and 2-halocyclohexanethionesRezende, Fátima M. P. de; Freitas, Matheus P.; Ramalho, Teodorico C.
9-Out-2019The Fluorine gauche effect and a comparison with Other halogens in 2‐Halofluoroethanes and 2‐HaloethanolsMartins, Francisco A.; Freitas, Matheus P.
Jan-2019Tautomerism and conformational analysis in 3-fluoropiperidin-2-one inform on F···HO intramolecular hydrogen bondSilla, Josué M.; Freitas, Matheus P.
Jul-2019Influence of stereoelectronic effects on the 1JC─F spin–spin coupling constant in fluorinated heterocyclic compoundsSilla, Josué M.; Andrade, Laize A. F.; Freitas, Matheus P.
2019Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorinesAndrade, Laize A. F.; Zeoly, Lucas A.; Cormanich, Rodrigo A.; Freitas, Matheus P.
24-Jan-2019An anomalous effect of fluorine on the conformational equilibrium of 2-fluorocyclohexane-1,3-dioneAndrade, Laize A. F.; Silla, Josué M.; Freitas, Matheus P.
Abr-2019A chemometric approach exploring Derringer's desirability function for the simultaneous determination of Cd, Cr, Ni and Pb in micronutrient fertilizers by laser-induced breakdown spectroscopyNunes, Lidiane Cristina; Pereira Filho, Edenir Rodrigue; Guerra, Marcelo Braga Bueno; Krug, Francisco José
2019Synthesis, characterization and antimicrobial activity of Cr (III), Co (II) and Ni (II) complexes with 2-thiazoline-2-tiol derivative ligands against bacteria and yeasts of clinical importanceHerrera, Karina M. S.; Ferreira, Lorena S.; Braga, Alysson V.; Souza, Juliano P.; Andrade, Jéssica T.; Soares, Adriana C.; Soares, Luis F.; Chagas, Rafael C. R.; Ferreira, Jaqueline M.S.
2019Quizmica: jogo educacional de Química e Biologia envolvendo o sistema de captura de movimento - Kinect for WindowsSoares, Luis Fernando; Alves, Stênio Nunes; Lima, Eduardo Henrique de Matos; Gonçalves, Heitor Antônio; Chagas, Rafael Cesar Russo; Carmo, Lucas Fernandes do
Coleção's Items (Ordenado por Data de depósito na Descendente ordem): 581 para 600 de 1222