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The EuChemS Lecture Award 2021 has been granted to Sílvia Osuna ICREA Community Universitat de Girona UdG Recerca Gent UdG Silvia Osuna CompBioLab iqcc.udg.edu/wordpress/2022…

It's Gala Dinner time at #ECC8 EuChemS! #IQCCproud IQCC UdG Najoua Silvia Osuna Cristina Duran Pau Besalú-Sala Guillem Casadevall Christian Curado Miquel Estévez Laia Vicens Serra

Check out our latest work about estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach by Guillem Casadevall Cristina Duran Miquel Estévez Silvia Osuna in #proteinscience #newpaper #openaccess CompBioLab onlinelibrary.wiley.com/doi/10.1002/pr…

Great to have finally a physical copy of our book on Aromaticity! A long journey from the day it was designed until it has been delivered. Thanks to all co-authors and to the excellent service by Wiley-VCH. wiley.com/en-ae/Aromatic…

Happy to see my first paper with Open Force Field Initiative picked as ACS editors' choice 🚀🚀🚀 Check out our collaborative benchmark of force fields (#OpenFF, #OPLS #GAFF) against QM using open and proprietary datasets provided by industry partners dx.doi.org/10.1021/acs.jc…

One of the final projects from my thesis is out! We introduced the use of IQA decomposition on each EDA term, aiming at bridging the gap between the two main real- and Hilbert-space methodologies. Sergi Danés ICCLab_Andrada Pedro Salvador JCIM & JCTC Journals JCTC Papers pubs.acs.org/doi/10.1021/ac…

Check our latest work about AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design by Guillem Casadevall Cristina Duran Silvia Osuna in JACS Au iqcc.udg.edu/wordpress/2023…   #IQCCpaper #openaccess TCBioSys

C-H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C-H Bonds pubmed.ncbi.nlm.nih.gov/37431886/?utm_…

Our latest work on the enantioselective hydroxylation of tertiary C-H bonds, done in collaboration with Massimo Bietti and Silvia Osuna, is now available in J. Am. Chem. Soc.. Check it out! Congratulations Andrea Palone! Guillem Casadevall Arnau Call Miquel Costas pubs.acs.org/doi/10.1021/ja…

Very exctited to share our strategy for the generation of multiple stereocenters via enantioselective C-H hydroxylation, finally out in J. Am. Chem. Soc. Guillem Casadevall Arnau Call Massimo Bietti Silvia Osuna Miquel Costas QBIS-CAT Research Group pubs.acs.org/doi/10.1021/ja…

Have a look at this nice contribution from our research group with Guillem Casadevall Silvia Osuna in collaboration with QBIS-CAT Research Group 👇👇👇👇👇

Check our latest work about C–H Bonds as Functional Groups: Simultaneous Generation... by Andrea Palone Guillem Casadevall Dr.Koroki Arnau Call Silvia Osuna Miquel Costas in collaboration with Massimo Bietti in J. Am. Chem. Soc. #IQCCpaper QBIS-CAT Research Group TCBioSys iqcc.udg.edu/wordpress/2023…

New article from our "Computational methods for protein design" special collection! By CompBioLab (IQCC UdG). The shortest path method (SPM) webserver for computational enzyme design academic.oup.com/peds/article-a…

Chemical bonding characterization using APOST-3D: Official release of the code in The Journal of Chemical Physics, and runs in parallel!🥳🥳 Special thanks to Pedro Salvador for the opportunity, and all researchers involved in making it evolve. Soon more to come! pubs.aip.org/aip/jcp/articl…

The last speaker of the session is Guillem Casadevall (CompBioLab, TCBioSys) explaining his research on the dynamic control of confined states and its application to enzymatic and synthetic catalyst systems #GirSem24 IQCC UdG Silvia Osuna Miquel Costas Romas Kazlauskas

PhD defense Guillem Casadevall (Guillem Casadevall) under supervision of Silvia Osuna and Dr. Javier Iglesias-Fernández Place: Sala de Graus de la Facultat de Dret Date: Sep 13, 2024 Time: 11 am Escola de Doctorat de la UdG UdG Recerca Gent UdG TCBioSys iqcc.udg.edu/2024/09/09/phd…

We have a new doctor at the IQCC! We are really proud of Guillem Casadevall for completing a PhD under supervision of Silvia Osuna and Dr. Javier Iglesias-Fernández. We wish him all the best in his professional future. Escola de Doctorat de la UdG UdG Recerca Gent UdG TCBioSys

Check our latest work about Altering Active-Site Loop Dynamics Enhances Standalone Activity of the Tryptophan Synthase Alpha Subunit by Cristina Duran Silvia Osuna in collaboration with Prof R Sterner Universität Regensburg in ACS Catalysis #NewPaper TCBioSys pubs.acs.org/doi/full/10.10…

Check our latest work about Divergent Oxidation Reactions of E- and Z-Allylic Primary Alcohols by an Unspecific Peroxygenase by Cristina Duran Silvia Osuna in collaboration with W. P. Unsworth and G. Grogan in Angewandte Chemie #NewPaperIQCC TCBioSys UdG Recerca udg.edu/ca/instituts/q…

#PancreaticCancer cells adapt to a nutrient-poor environment by rewiring their #metabolism. Blocking their "fat factory" pushes them to the brink of #apoptosis & makes them highly sensitive to BH3 mimetics. sciencedirect.com/science/articl… @ProcureICO Institut Català d'Oncologia IDIBGI Institut d'Investigació Biomèdica de Girona IQCC UdG