Biomolecular SIMulations Research Group
Please, check our recent publication in Current Medicinal Chemistry (IF 4.184): Multifunctional Enzymes as Targets for the Treatment of Tuberculosis: Paving the Way for New Anti-TB Drugs Carla S.S. Teixeira, Nuno …
We are happy to announce that BioSIM researcher Sérgio F. Sousa is guest editing a research topic on “Enzymes as Biocatalysts: Current Research Trends and Applications” for the International Journal of Molecular …
Please check out our latest review paper now available online: https://doi.org/10.1002/ijch.202000014 Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges Rita P. Magalhães, Henriques S. Fernandes, and Sérgio F. …
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 …