The first annual report of the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) containing the most important activities developed by the IQCC during 2023 is presented below. Writing an annual report is a valuable practice that goes beyond fulfilling regulatory requirements. It serves as a tool for communication, reflection, and strategic planning, contributing
Institut de Química Computacional i Catàlisi
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Carla Calvó-Tusell has been awarded the 1st prize for best computational chemistry paper in 2022 given by the Computational Chemistry Group (GEQC) of the Spanish Royal Society of Chemistry (Real Sociedad Española de Química, RSEQ). She has received the award for her paper “Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase”.
Biocatalytic intermediates for the discovery and design of new enzymatic activities
On February 1st, Dr. Marc Garcia-Borràs started his new Beatriu de Pinós project (MSCA COFUND) entitled “Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities”. This 3-year project will allow Dr. Garcia-Borràs to work as an independent researcher at the Institute of Computational Chemistry and Catalysis (IQCC) and the
