Biomolecular SIMulations Research Group
We are proud to announce that a recent BioSIM paper published in Catalysis Science & Technology has has been selected by the journal Editors as a 2019 HOT article. The paper entitled “PLP-dependent enzymes …
PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective Juliana F. Rocha, André F. Pina, Sérgio F. Sousa and Nuno M. F. A. Sousa …
Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview Henrique S. Fernandes, Carla S. Silva Teixeira, Sérgio F. Sousa, and Nuno M. F. S. A. …
The catalytic mechanism of the Serine Hydroxymethyltransferase – a computational ONIOM QM/MM study Henrique S. Fernandes, Maria João Ramos, and Nuno M. F. S. A. Cerqueira DOI: 10.1021/acscatal.8b02321 | ACS …
Mechanistic Studies of a Flavin Monooxygenase: Sulfur Oxidation of Dibenzothiophenes by DszC Ana C. C. Barbosa, Rui P. P. Neves, Sérgio F. Sousa, Maria J. Ramos, and Pedro A. Fernandes …
Analyzing PEGylation through Molecular Dynamics Simulations Dr. Sérgio F. Sousa, Dr. Joana Peres, Dr. Manuel Coelho, and Tatiana F. Vieira DOI: 10.1002/slct.201800855 | ChemistrySelect Abstract Poly(ethylene) glycol (PEG) is the most used …