Biomolecular SIMulations Research Group
Please, check our recent publication in Inorganic Chemistry Frontiers, disclosing the complete catalytic mechanism of Xanthine Oxidase. The complete catalytic mechanism of Xanthine Oxidase: a computational study Pedro MG Ribeiro, …
Please check our latest review paper published in Molecules entitled “An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia” An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to …
Please check our latest publication on “Frontiers in Chemistry”, a collaboration with the Faculty of Engineering of Porto and with the University of Belgrade, Servia. Editorial: The Chemistry of Biofilms …
Please check our latest book chapter “In Silico Development of Quorum Sensing Inhibitors” published on Recent Trends in Biofilm Science and Technology, edited by Manuel Simões, Anabel Borges and Lucia …
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 …
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, …