Protein functions are dynamically regulated by allostery, which enables conformational communication even between faraway residues, and expresses itself in many forms, akin to different “languages”: allosteric control pathways predominating in an unperturbed protein are often unintuitively reshaped whenever biochemical perturbations arise (e.g., mutations). To accurately model allostery, unbiased molecular dynamics (MD) simulations require integration with
Institut de Química Computacional i Catàlisi
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Arenes are interesting feedstocks for organic synthesis because of their natural abundance. However, the stability conferred by aromaticity severely limits their reactivity, mostly to reactions where aromaticity is retained. Methods for oxidative dearomatization of unactivated arenes are exceedingly rare but particularly valuable because the introduction of Csp3–O bonds transforms the flat aromatic ring in 3D
Miquel Solà has recently been selected as a Fellow of the Royal Society of Chemistry (RSC). This scientific society, founded in 1980, aims to promote the understanding and advancement of the chemical sciences. Although the vast majority of more than 50,000 members of the association are British, this is also open to researchers from around the world.
Last 15th December took place the Xmas edition of the IQCC Forum, a quarterly meeting-place where high-quality science will be discussed. The IQCC Forum gives the opportunity for PhD and postdoc members of the IQCC to present their work to a wide audience. This will lead to better knowledge of the work that is being performed
The Nanoscale journal features on its inside front cover the recently published research article “A step towards rational design of carbon nanobelts with tunable electronic properties” by Gibu George, Dr. Olga A. Stasyuk, Prof. Miquel Solà, Dr. Anton J. Stasyuk. Can you see Sant Feliu church and the Cathedral of our beloved Girona?. The cover was
Every year in November, the IQCC is organizing together with the Scientific Culture and Digital Communication (C4D) unit of the UdG some activities for Science Week with the aim to bring our science closer to the Girona general public. Last Friday, November 17, 2023, the Diada de Sant Albert took place at Science Faculty of UdG. The
Dr. Carles Fuertes has recently become a new member of the Institute of Computational Chemistry and Catalysis (IQCC). Dr. Fuertes did his PhD at the IQCC/University of Girona on supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces under the supervision of Prof. Xavi Ribas in 2020. He has postdocotral experience at University of Cambride (United Kingdom)
Last Thursday, the IQCC organized the fourth edition of the IndustryQCC Forum with four national and international companies (Concentrol, UQUIFA, AGC Pharma Chemicals Europe and Chemotargets) during the Science Week. The IndustryQCC Forums provide young (and more advanced) researchers of IQCC the opportunity to get to know the research carried out in (bio)chemical industry in different parts
Dr. Jordi Mestres (Girona, 1967) graduated in chemistry in 1990 from the Autonomous University of Barcelona (UAB) and received his doctorate in 1995 (specializing in computational chemistry) from the University of Girona, with short research stays at the Université de Paris-Sud (Paris, France; 1992) and Rice University (Houston, USA; 1993). Parallel to his research
Next Tuesday will be the defense of the doctoral thesis of Rubén Álvarez Yebra, titled “Development of flexible cavitands receptors based on calixarene. Rational design, synthesis and study of their properties”, supervised by Dr. Agustí Lledó from IQCC. Place: Aula Magna de la Facultat de Ciències Date: Tuesday November 7th, 2023 Time: 11.30am We wish him good luck and all the