Selected Publications
Towards Sustainable Synthesis of Polyesters: A QM/MM Study of the Enzymes CalB and AfEST. Figueiredo, P., Almeida, B.C., Dourado, D.F.A.R. Sousa, A.F., Sivestre, A., Carvalho, A.T.P. ChemRxiv (2019). https://doi.org/10.26434/chemrxiv.9638270.v1
Almeida, B. C., Figueiredo, P. & Carvalho, A. T. P. Polycaprolactone Enzymatic Hydrolysis: A Mechanistic Study. ACS Omega 4, 6769–6774 (2019). http://dx.doi.org/10.1021/acsomega.9b00345.
Almeida, B. C.; Figueiredo, P.; Carvalho, A.T.P. Enzymatic polymerization of PCL-PEG co-polymers for biomedical applications. Frontiers in Molecular Biosciences (2019). https://www.frontiersin.org/articles/10.3389/fmolb.2019.00109/full
Dourado D. F. A. R., Swart M., Carvalho A. T. P. Why the flavin dinucleotide cofactor needs to be covalently linked to Complex II of the electron transport chain for conversion of FADH2 to FAD. Chem. – Eur J. (2018). https://doi.org/10.1002/chem.201704622.
Carvalho, A. T. P., Dourado, D. F. A. R., Skvortsov, T., de Abreu M., Ferguson, L. J., Quinn, D. J., Moody, T. S. Huang, M. Spatial requirement for PAMO for transformation of non-native linear substrates. Phys. Chem. Chem. Phys. 2018. doi: 10.1039/c7cp07172h.
Carvalho, A. T. P., Dourado, D. F. A. R., Skvortsov, T., de Abreu M., Ferguson, L. J., Quinn, D. J., Moody, T. S. Huang, M. Catalytic mechanism of phenylacetone monooxygenases for non-native linear substrates. Phys. Chem. Chem. Phys.19, 26851–26861 (2017). doi: 10.1039/c7cp03640j.
Dourado, D. F. A. R., Pohle, S., Carvalho, A. T. P., et al. Rational design of a (S)-selective-transaminase for asymmetric synthesis of (1S)-1-(1,1’-biphenyl-2-yl)ethanamine. ACS Catalysis 6, 7749-7759 (2016). https://doi.org/10.1021/acscatal.6b02380
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