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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1101
Issue DateTitleAuthor(s)
7-Jun-2021Virtual environment for smart wheelchair simulationMarques, Leomar Santos; Magalhães, Ricardo Rodrigues; Lima, Danilo Alves de; Tsuchida, Jefferson Esquina; Fuzatto, Diego Cardoso
12-Sep-2021Structure and mechanical properties of pyrope (Mg Al Si O) glass: effect of high pressureBuchner, Silvio; Balzaretti, Naira Maria; Ferreira, Eduardo B.; Tsuchida, Jefferson Esquina; Kulbieda, Felipe R.; Zanotto, Edgar D.
Nov-2021Production of engineered-biochar under different pyrolysis conditions for phosphorus removal from aqueous solutionNardis, Bárbara Olinda; Franca, José Romão; Carneiro, Jefferson Santana da Silva; Soares, Jenaina Ribeiro; Guilherme, Luiz Roberto Guimarães; Silva, Carlos Alberto; Melo, Leônidas Carrijo Azevedo
12-Jan-2021Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: optimizing the coherent phaseLino, Jéssica Boreli dos Reis; Gonçalves, Mateus Aquino; Ramalho, Teodorico Castro
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
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
15-May-2021Selective visible-light-driven toxicity breakdown of nerve agent simulant methyl paraoxon over a photoactive nanofabricGabriel Filho, José B.; Bruziquesi, Carlos G. O.; Rios, Regiane D. F.; Castro, Alexandre A.; Victória, Henrique F. V.; Krambrock, Klaus; Mansur, Alexandra A. P.; Mansur, Herman S.; Siniterra, Ruben D.; Ramalho, Teodorico C.; Pereira, Márcio C.; Oliveira, Luiz C. A.
19-Apr-2021Regulation of protein synthesis: an approach to treat Autistic Spectrum Disorder (ASD)Teixeira, Jéssika Poliana; 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
Apr-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
1-Apr-2021Magnetic photocatalysts from δ-FeOOH and TiO2 and application in reactions for degradation of methylene blue and paracetamol with UV-C and sunlightMoura, Stéfany G. de; Dauzakier, Ligiane C. L.; Pereira, Leydiane O.; Ramalho, Teodorico C.; Oliveira, Luiz C. A. de; Magalhães, Fabiano
16-Jul-2021Investigating an efficient and accurate protocol for sampling structures from molecular dynamics simulations: a close look by different wavelet familiesGonçalves, Mateus A.; G. Júnior, Arismar M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
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
9-Oct-2021In silico studies of potential selective inhibitors of thymidylate kinase from Variola virusGarcia, Danielle R.; Souza, Felipe R.; Guimarães, Ana P.; Valis, Martin; Pavelek, Zbyšek; Kuca, Kamil; Ramalho, Teodorico C.; França, Tanos C. C.
12-Apr-2021Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: a plausible potential spectroscopy probeCorrêa, Silviana; Rosa, Isael Aparecido; Andolpho, Gustavo A.; Assis, Letícia Cristina de; Pires, Maíra dos S.; Lacerda, Lívia C. T.; Nogueira, Francisco G. E.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
7-Oct-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
16-Oct-2021Doping effect of Cu (II) in the adsorption of CrO42- by the Fe3O4 (111) surface: a theoretical studyPires, Maíra S.; Silva, Telles C.; Lacerda, Lívia C.T.; Castro, Alexandre A. de; Corrêa, Silviana; Oliveira, Igor S. S. de; Vaiss, Viviane S.; Nogueira, Francisco G. E.; Ramalho, Teodorico C.
2021Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parametersToledo, Evelyn J. L.; Ramalho, Teodorico C.
18-Mar-2021Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infectionAssis, Letícia C.; Castro, Alexandre A. de; Jesus, João P. A. de; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.; La Porta, Felipe A.
15-Apr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 1101