...and here you have our recommended reading (for summer or later, as you want...). A review on anti-Markovnikov intermolecular hydroamination of alkenes and alkynes. By J. Escorihuela, A. Lledós and G. Ujaque: pubs.acs.org/doi/10.1021/ac…

These days a repesentation of Unitat de Química Física - UAB is participating in the 12th Workshop on Computational Chemistry and Molecular Spectroscopy in Viña del Mar, Chile. Here we have our PI Jean-Didier Maréchal and Laura Masgrau in their presentations today. 👏👏👏

Today is the day! Laura Tiessler (ltiessler) is defending her PhD thesis "Advanced computational strategies for metalloenzyme design". 📍Sala de Graus Ciències Universitat Autònoma de Barcelona 🕚 11:00h

No surprises. ltiessler was excellent at her defense and has become new doctor!🎉🎉🎉 Many thanks to Albert Rimola, Marc Garcia-Borràs and Fátima Lucas from Zymvol Biomodeling for being part of the jury.

🏃‍♀️... 1 dia per la #XIIITrobadaSCQ 👨‍🔬👩‍🔬🗓️Secció Jove - Societat Catalana de Química 3a jornada (tarda) amb Sílvia Osuna, Kahoot flaix i entrega de premis i cloenda amb Isabel Díez, Ricard López-Coll, Iván Sánchez, Gregori Ujaque i Bernat Oró-Nolla. Quimica UdG Inst. of Environmental Assessment & Water Research DiMoCaT_IQCC Institute for Advanced Chemistry of Catalonia Universitat Autònoma de Barcelona Facultat Química URV

Inaugurada la #XIIITrobadaSCQ 🎊amb el rector de l’Universitat Rovira i Virgili Josep Pallarès Marzal, el degà de la Fac. de Química, Joan Josep Carvajal, el president de l’Societat Catalana de Química Gregori Ujaque, i la vocal jove de #SeccioJoveSCQ Araceli de Aquino. Conferència inaugural de Montserrat Diéguez 👩‍🔬🧑‍🔬

Aquí tenim a la Laura Martínez (Laura) presentant la seva recerca sobre el disseny de metal.lopèptids a la #XIIITrobadaSCQ de la Societat Catalana de Química. 👏👏👏

Després dels dies intensos de ciència i bona gent a la #XIIITrobadaSCQ, he pogut processar l'honor d'haver rebut el premi a la xerrada del simposi de Biomolècules. Tothom ha fet un treball excel·lent, així que volia agrair a la Societat Catalana de Química aquest reconeixement. Moitas grazas!

I, per acabar la nostra participació a la #XIIITrobadaSCQ de la Societat Catalana de Química, aquí està la Mercè Alemany en acció presentant la seva recerca sobre el procés d'encapsulació d'un lligand en una metal.locaixa. Moltes gràcies als organitzadors per fer possible aquesta trobada!👏👏👏

🥇Guanyadors de les comunicacions orals dels Simposis: Markel Ylla Arnau Marco Adrián Moreno Roger Bujaldón Laura Martínez Albert Menéndez Dídac Serraïma 🥇Guanyadors de les comunicacions flaix: Maria Navalón Eduard Balaguer Felicitats!

Yesterday was the last day for our visitor, Kessen Poitou, who did a great job in implementing GUIs for the next generation of our GaudiM2 software. Great job, Kessen! 👏👏👏

Today is the day! Lorena Roldán (Lorena Roldán) is defending her PhD thesis "Computational study of the interaction of metals with biological scaffolds: neurodegenerative diseases and catalysis". 📍Sala de Graus Ciències Universitat Autònoma de Barcelona 🕚 11:00h

New doctor in the group! 🎉🎉🎉 Many congrats to Lorena (Lorena Roldán) for her excellent defense. And many thanks to Marc Torrent, Emilie Mathieu and Ferran Feixas (Ferran Feixas) for being part of the jury.

More good news! Today has been published in Inorganic Chemistry a study on the impact of familial mutations and metal interaction on Amyloidß42 monomers and aggregates, which comes from Lorena Roldán PhD work. You can read the open access article here: pubs.acs.org/doi/10.1021/ac…

Great news! Jean-Didier Maréchal, PI of our group, has been promoted to Full Professor (Catedràtic) at the Universitat Autònoma de Barcelona. Moltes felicitats, JeanDi!!!🎉🎉🎉

Really glad to announce that the work I did for my Master Thesis at InsiliChem under the supervision of Jean-Didier Maréchal, is finally out. BioBrigit is an hybrid knowledge-based and deep learning model that can be used to find and characterise metal diffusion paths in proteins

InsiliChem Jean-Didier Maréchal If you want to use BioBrigit, for your own systems, the tool is available in Python and can the code is open-source in Github: github.com/insilichem/Bio…

Very happy to see that our latest paper just appeared online in ACS Catalysis. pubs.acs.org/doi/10.1021/ac…

Two directed evolution campaigns of an artificial enzyme from Roelfes Group (find us as @roelfesgroup on BS) found that just three mutations could specialise it towards each of its promiscuous activities. Intrigued by this, I went with a FEBS to learn some computational methods with InsiliChem

Many thanks to everyone involved in this highly collaborative and interdisciplinary study! Also credit to Ivana Drienovska and narf42 who originally designed and evolved this enzyme. ltiessler Biocatalysis@TUDelft @StratinghInst