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Reaction Mechanism of the PET Degrading Enzyme PETase Studied with DFT/MM Molecular Dynamics Simulations
ArticleAbstract: Polyethylene terephthalate (PET) has been widely used to make disposable bottles, among others, leadPalabras claves:biodegradation, biorecycling, density functional theory, plastic accumulation, QM/MM, umbrella samplingAutores:Carola Jerves, Fernandes P.A., Neves R.P.P., Ramos M.J., Saulo L. SilvaFuentes:scopusStructural, enzymatic and pharmacological profiles of AplTX-II - A basic sPLA<inf>2</inf> (D49) isolated from the Agkistrodon piscivorus leucostoma snake venom
ArticleAbstract: A basic sPLA2 (D49) from the venom of snake Agkistrodon piscivorus leucostoma (AplTX-II) was isolatePalabras claves:Agkistrodon piscivorus leuscostoma, Basic sPLA D49 2, molecular modeling, NOBA (4-nitro-3-octanoyloxy benzoic acid)Autores:Fernandes P.A., José Rafael de Almeida, Marangoni S., Ramos M.J., Resende L.M., Saulo L. Silva, Soares A.M., Tatiana A. Guaraca-Medina, Viegas M.F.Fuentes:scopus