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”.
Institut de Química Computacional i Catàlisi
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The recent success of AlphaFold2 (AF2) and other deep learning (DL) tools in accurately predicting the folded three-dimensional (3D) structure of proteins and enzymes has revolutionized the structural biology and protein design fields. The 3D structure indeed reveals key information on the arrangement of the catalytic machinery of enzymes and which structural elements gate the
Last week the Grupo Especializado de Química Organometálica (GEQO – RSEQ) announced that Miquel Costas, full professor at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the Medalla Rafael Usón award of GEQO – RSEQ 2023, for his outstanding scientific trajectory and contributions to the field of organometallic chemistry, in particular
This week the Societat Catalana de Química (SCQ) announced that Sílvia Osuna, ICREA professor at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the Emerging Scientific Talent 2023 award of Societat Catalana de Química, for her outstanding scientific career on the design of new enzymes of industrial interest using computational chemistry tools. The Emerging Scientific Talent Award for Young Investigators
Dr. Eduard Masferrer has recently joined the Institute of Computational Chemistry and Catalysis (IQCC) as a new member. He obtained his PhD from Utrecht University in The Netherlands, under the supervision of Prof. Robertus J.M. Klein Gebbink. Throughout his doctoral studies, Dr. Masferrer focused on advancing the field of aromatic oxidation reactions by developing catalysts
The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. One of the pillars
The development of novel strategies to introduce chirality at a molecular level is a longstanding pursuit within the organic chemistry community. The generation of chiral alcohols has an important role for the synthesis of many bioactive molecules, however the asymmetric construction of C-O in an enantioselective manner from C(sp3)-H bond rich and readily available starting
Next week Friday will be the defense of the doctoral thesis of Carla Calvó Tusell, titled “Computational Strategies for Understanding the Molecular Bases of Biochemical and Biocatalytic Processes”, supervised by Prof. Sílvia Osuna and Dr. Marc Garcia-Borràs from IQCC. Place: Aula Magna – Facultat de Ciències Date: Friday June 2, 2023 Time: 11.00h We wish
Angewandte Chemie International Edition features on its front cover the recently published research article “Harnessing the Structure and Dynamics of the Squalene-Hopene Cyclase for (?)-Ambroxide Production”. Ambergris is a highly valued natural product in the fragrance industry and is also known as “floating gold” because of its biosynthesis in the intestines of sperm whales. Owing
Last 20th April took place the 30 years IQC(C) celebration. This wonderful moment was celebrated by a symposium and get-together in Girona. Schedule (Aula Magna, Science Faculty) 09.30h Opening by Honorific Director Prof. Ramon Carbó-Dorca and ViceRector Research Dr. Maria Pla de Solà-Morales Session 1: Chair: Lorenzo D’Amore 09.50h-10.15h Jordi Mestres – “From Similarity to