Biomolecular SIMulations Research Group
Please check our new research article recently published in ChemBioChem (IF: 3.461) in collaboration with the pharmaceutical company BIAL. Inactivation Mechanism of the Fatty Acid Amide Hydrolase Inhibitor BIA 10-2474 …
Very happy to share our recent study on the application of an integrated multi-level computational approach to identify new promising molecules to selective inhibit biofilm formation by Pseudomonas aeruginosa, published …
Very proud to finally announce our most recent research article on SARS-CoV-2, a multidisciplinary collaboration of BioSIM involving University of Bordeaux, CNRS, Nantes Université, Université de Paris, ENS Paris Saclay, …
We are glad to announce that our research on the development of novel inhibitors of R67 dihydrofolate reductase (DHFR) has just been published in Antibiotics (IF: 4.639). In this study, …
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 …