Biomolecular SIMulations Research Group
Please check our latest collaborative paper published in Bioorganic Chemistry, entitled “Benzo[a]phenoxazinium chlorides: Synthesis, antifungal activity, in silico studies and evaluation as fluorescent probes” Benzo[a]phenoxazinium chlorides: Synthesis, antifungal activity, in silico studies …
Please check our latest collaborative paper published in ACS Catalysis on the determinants for the catalytic power of enzymes. This study, resulting from a collaboration with the Faculty of Sciences …
Please check our latest collaborative paper published in the Journal of Cellular Biochemistry with the title “Alkaline phosphatase dual‐binding sites for collagen dictate cell migration and microvessel assembly in vitro” …
Please check our latest collaborative paper published in ACS Catalysis on the Catalytic Mechanism of the DszB enzyme, a promising enzyme for the biodesulfurization of crude oil, solved by QM/MM …
Please check our latest collaborative paper published in ACS Catalysis on the Catalytic Mechanism of Human Aldehyde Oxidase, solved by QM/MM methods, resulting from a collaboration with the Universidade Nova …
BioSIM welcomes a new student, Joel Moreira, from Escola Superior de Saúde, Instituto Politécnico do Porto. Joel will develop his internship project (B.Sc. in Medical Biotechnology) at BioSIM working in …
Please check our latest paper “The Biofilms Structural Database” now available online at https://doi.org/10.1016/j.tibtech.2020.04.002 The Biofilms Structural Database Rita P. Magalhães, Tatiana F. Vieira, Henrique S. Fernandes, André Melo, Manuel Simões, …
Good news! Our collaborative review article was read enough times to be a #TopDownloadedArticle in its journal. “Analyzing PEGylation through Molecular Dynamics Simulations” https://doi.org/10.1002/slct.201800855 Thank you @ChemistrySelect Analyzing PEGylation through …
Please check out our latest review paper now available online: https://doi.org/10.1002/ijch.202000014 Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges Rita P. Magalhães, Henriques S. Fernandes, and Sérgio F. …
Cargo/posição/bolsa: Bolsa de Investigação Licenciado Encontra-se aberto concurso para a atribuição de uma Bolsa de Investigação Licenciado (Referência REQUIMTE 2020-26), no âmbito do projeto “Biopesticides and Food Preservatives from Nanoencapsulated Plant Extracts: Biological …