de Jesus, J.P.A.; Assis, L.C.; de Castro, A.A.; da Cunha, E.F.F.; Nepovimová, Eugenie; Kuča, Kamil; de Castro Ramalho, Teodorico; de Almeida, La Porta F.
(NATURE RESEARCH, 2021)
Understanding the effects of metabolism on the rational design of novel and more effective drugs is still a considerable challenge. To the best of our knowledge, there are no entirely computational strategies that make it ...