New Publication on Applied Sciences

Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening Tatiana F. Vieira, and Sérgio F. Sousa DOI: 10.3390/app9214538 | Applied Sciences Abstract AutoDock and Vina are two of the …

New publication on ChemCatChem

Solving the catalytic mechanism of tryptophan synthase: an emergent drug target in the treatment of tuberculosis Carla S. S. Teixeira, Maria João Ramos, Sérgio Filipe Sousa, and Nuno M. F. …

New publication on Molecules journal

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. …

New publication on the Biophysical Chemistry journal (Elsevier)

Small phospho-donors phosphorylate MorR without inducing protein conformational changes Nathália S.S. Castro, César A.T. Laia, Biplab K. Maiti, Nuno M.F.S.A. Cerqueira, Isabel Moura, and Marta S.P. Carepo DOI: 10.1016/j.bpc.2018.05.009 | Biophysical Chemistry Abstract Phosphorylation is an essential mechanism of protein control and plays an …

New publication on the ChemistrySelect (Wiley)

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 …