Biomolecular SIMulations Research Group
We are excited to bring to your attention our recent research article published in ACS Catalysis (IF 13.08). In this paper we used molecular dynamics, quantum mechanics and continuum electrostatic methods to …
Please check out our newest amazing front cover in the latest issue of ChemBioChem: DOI: 10.1002/cbic.202200024 Publication The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys-His-Glu Triad: A Computational Study …
Please check our recent publication in Chemical Biology and Drug Design (IF 2.817), a collaboration with Professor Kiattawee Choowongkomon’s lab at Kasetsart University, Bangkok, Thailand. Identification of tripeptides against tyrosine kinase …
Please check our recent publication in Antibiotics (IF 4.639), a collaboration with Professor Manuel Simões (LEPABE/FEUP) on drug repurposing targeting Pseudomonas aeruginosa. Drug repurposing targeting Pseudomonas aeruginosa MvfR using Docking, Virtual Screening, Molecular Dynamics, and …
Please check our recent publication in the Asian Journal of Organic Chemistry (IF 3.319), a collaboration with Professor Anthony Burke (Univ Évora) on the application of quantum mechanisms to understand the stereoselectivity of the …
Please check our recent publication in Microorganisms (IF 4.128), a collaboration with Professor Manuel Simões (LEPABE/FEUP) on antimicrobial susceptibility of persister cells of Bacillus cereus and Pseudomonas fluorescens. Antimicrobial Susceptibility of Persister Biofilm Cells of Bacillus cereus and …
Please check our recent research article published in ChemBioChem (IF 3.164). In this paper we used QM/MM methods to solve the catalytic mechanism of the glutaminase domain of pyridoxal 5’-phosphate synthase …
Please check our recent review article published in Pharmaceutics (IF 6.321 ). This review discusses the potential of multifunctional enzymes as anti-cancer drug targets, with emphasis on the current status of research on four enzymes which by …
Please check our research article published in Molecular Genetics and Metabolism (IF 4.797), a collaborative effort of BioSIM with Centro de Genética Médica and Centro de Referência de Doenças Hereditárias …
Please check our research article published in Molecules (IF 4.412), a collaborative effort of BioSIM with the Faculty of Pharmacy of the University of Porto, and with the Centers of Physics …