InsiliChem

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

Two directed evolution campaigns of an artificial enzyme from @RoelfesGroup found that just three mutations could specialise it towards each of its promiscuous activities. Intrigued by this, I went with a @FEBSnews to learn some computational methods with @insilichem

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

@insilichem @jeandidiermare1 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…

Really glad to announce that the work I did for my Master Thesis at @insilichem under the supervision of @jeandidiermare1, 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

Great news! @jeandidiermare1, PI of our group, has been promoted to Full Professor (Catedràtic) at the @UABBarcelona. Moltes felicitats, JeanDi!!!🎉🎉🎉

More good news! Today has been published in @InorgChem a study on the impact of familial mutations and metal interaction on Amyloidß42 monomers and aggregates, which comes from @lurerm93 PhD work. You can read the open access article here: pubs.acs.org/doi/10.1021/ac…

New doctor in the group! 🎉🎉🎉 Many congrats to Lorena (@lurerm93) for her excellent defense. And many thanks to Marc Torrent, Emilie Mathieu and Ferran Feixas (@ferranfeixas) for being part of the jury.

Today is the day! Lorena Roldán (@lurerm93) is defending her PhD thesis "Computational study of the interaction of metals with biological scaffolds: neurodegenerative diseases and catalysis". 📍Sala de Graus Ciències @UABBarcelona 🕚 11:00h

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! 👏👏👏

🥇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!

@lauraMChem @scq_iec Moltes felicitats!!! 🎉🎉🎉

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 @scq_iec aquest reconeixement. Moitas grazas!

I, per acabar la nostra participació a la #XIIITrobadaSCQ de la @scq_iec, 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!👏👏👏

Aquí tenim a la Laura Martínez (@lauraMChem) presentant la seva recerca sobre el disseny de metal.lopèptids a la #XIIITrobadaSCQ de la @scq_iec. 👏👏👏

🏃‍♀️... 1 dia per la #XIIITrobadaSCQ 👨‍🔬👩‍🔬🗓️@scqjove 3a jornada (tarda) amb Sílvia Osuna, Kahoot flaix i entrega de premis i cloenda amb Isabel Díez, @lopezcollr, Iván Sánchez, Gregori Ujaque i @Bernat_ON. @QuimicaUdG @IDAEA_CSIC @DIMOCAT_iqcc @IQAC_CSIC @UABBarcelona @quimicaURV

Inaugurada la #XIIITrobadaSCQ 🎊amb el rector de l’@universitatURV @jpallaresm, el degà de la Fac. de Química, Joan Josep Carvajal, el president de l’@scq_iec Gregori Ujaque, i la vocal jove de #SeccioJoveSCQ @adeaqusa. Conferència inaugural de Montserrat Diéguez 👩‍🔬🧑‍🔬

No surprises. @ltiessler was excellent at her defense and has become new doctor!🎉🎉🎉 Many thanks to @RimolaAlbert, @MarcGBQ and Fátima Lucas from @zymvol for being part of the jury.

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

These days a repesentation of @qfuab is participating in the 12th Workshop on Computational Chemistry and Molecular Spectroscopy in Viña del Mar, Chile. Here we have our PI @jeandidiermare1 and @LauraMasgrau in their presentations today. 👏👏👏