Biomolecular SIMulations Research Group
Please, check our recent publication in Molecules (IF 3.267): Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach Fábio G. Martins, André Melo, and Sérgio …
Please check our recently published book “The Application of Quantum Mechanics in Reactivity of Molecules”, edited by Dr. Sérgio F. Sousa. The Application of Quantum Mechanics in Reactivity of Molecules …
Please, check our recent publication in Journal of Chemical Education introducing BioSIMAR, a tool for easy interactive visualization of molecules by augmented reality developed at BioSIM/FMUP. Developing and Using BioSIMAR, an …
Our first paper on the study of SARS-CoV-2 is finally out. This study developed at BioSIM (UCIBIO@REQUIMTE – Faculdade de Medicina, Universidade do Porto) and at University of Bordeaux and University of Nantes was published in Viruses (IF …
Please, check our recent publication in Trends in Microbiology (IF 13.546): LegionellaDB – A Database on Legionella Outbreaks Inês G. Gonçalves, Henrique S. Fernandes, Ana Melo, Sérgio F. Sousa, Lúcia C. …
Please, check our recent publication in Applied Science (IF 2.474): The Application of Quantum Mechanics in Reactivity of Molecules Sérgio F. Sousa DOI: 10.3390/app11031132 | Applied Sciences Over the last few …
Please, check our recent publication in ChemPhysChem (IF 3.144): An Unsual Cys‐Glu‐Lys Catalytic Triad is Responsible for the Catalytic Mechanism of the Nitrilase Superfamily: a QM/MM study on Nit2 Carla S. …
Please, check our recent publication in Biofouling (IF 2.847): Databases for the Study of Biofilms: Current Status and Potential applications Fábio G. Martins, André Melo, and Sérgio F. Sousa DOI: 10.1080/08927014.2021.1876849 | Biofouling Biofilms play an …
Please, check our recent publication on the inhibition of SARS-CoV-2 developed at BioSIM in collaboration with the University of Bordeaux and University of Nantes, already available at bioRxiv: In silico, …
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 …