Biomolecular SIMulations Research Group
Have a look at our new research article published in the European Journal of Medicinal Chemistry (IF: 6.514), an interdisciplinary collaboration with the research group of Nenad Filipovic (Univ Belgrad, …
Please check our new research article published in Molecules (IF: 4.412), a collaboration with the research groups of Prof. Nuno Vale (MEDCIDS, FMUP) and Prof. António Almeida (IMED, FFUL). In this paper, we applied molecular docking to evaluate …
Please check our new research article recently published in Catalysis Science & Technology (IF: 6.119). In this study, we have solved with atomic level detail the catalytic mechanism of IsPETase, a …
Please check our new research article recently published in ACS Catalysis (IF: 13.08). In this paper, we used QM/MM methods to unravel the catalytic mechanism of threonine aldolase with different …
Please check our new research article published in Molecular Systems Design & Engineering (IF: 4.94), a collaboration with Professor Lígia Rodrigues’ group (CEB, University of Minho). In this paper we …
Please check our recent publication in the International Journal of Biological Macromolecules (IF 6.953), a collaborative effort of BioSIM with Univ Minho/CBMA and CEB. The milk-derived lactoferrin inhibits V-ATPase activity …
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 …
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. …