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Data do documentoTítuloAutor(es)
Mar-2023Synergistic effect of intra- and intermolecular hydrogen bond in 2-haloethanols probed by infraredMartins, Francisco A.; Ramalho, Teodorico C.; Freitas, Matheus P.
2023Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force fieldSantos, Taináh M. R.; Tavares, Camila A.; Pereira, Ander F.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2023Molecular dynamics-assisted interaction of vanadium complex-AMPK: from force field development to biological application for Alzheimer’s treatmentTavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2023Intermolecular covalent interactions: nature and directionalitySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, F. Matthias
2023Wavepress is a user-friendly toolkit for computational chemistry, drug design and material scienceGonçalves, Mateus A.; Nunes, Cleiton A.; Sáfadi, Thelma; Ramalho, Teodorico C.
2023Exploring electronic, structural and dynamics parameters of phenylbenzothiazole complexes with Mn2+, Cu2+ and Zn2+ for designing new magnetic resonance imaging (MRI) probes: congruence between computation and spectroscopic dataRosa, Isael Aparecido; Gonçalves, Mateus A. ,; Krambrock, Klaus Wilhelm Heinrich; Santos, Marcelo Henrique dos; Braga, Letícia S.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2023Improving the path to obtain spectroscopic parameters for the PI3K-(platinum complex) system: theoretical evidences for using 195Pt NMR as a probeSantos, Taináh M. R.; Andolpho, Gustavo A.; Tavares, Camila A.; Gonçalves, Mateus A.; Ramalho, Teodorico C.