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Data do documentoTítuloAutor(es)
2022Theoretical construction of thermodynamic relations for a solvent-controlled phase transition to improve the bioavailability of drugs: a case study of indomethacinBrito, Kelvyn P. S. de; Braga, Letícia S.; Ramalho, Teodorico C.; Cardoso, Tatiana R.; Cunha, Elaine F. F. da
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
15-Abr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
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.
2022New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 VirusCastro, Alexandre A. de; Assis, Letícia C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; La Porta, Felipe A.
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.
17-Fev-2021A quantitative molecular orbital perspective of the chalcogen bondSantos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
Jan-2022Value of contrast-enhanced Magnetic Resonance Imaging (MRI) in the diagnosis of breast cancerGonçalves, Mateus Aquino; Pereira, Bruna T. L.; Tavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F.F. da; Ramalho, Teodorico C.
2020Trends in the recent patent literature on cholinesterase reactivators (2016-2019)Castro, Alexandre A. de; Assis, Letícia C.; Soares, Flávia V.; Kuca, Kamil; Polisel, Daniel A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Mai-2022Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4′-aminophenyl)benzothiazole: a potential spectroscopic probeAndolpho, Gustavo A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.