Jordi Juarez-Jimenez
@jjuarez_jimenez
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Newbie dad, Lecturer, PhD, Spanish scientist, computational chemist, vocational teacher.
Barcelona, Spain
Joined July 2013
I am excited to share our latest preprint "A novel bottom-up approach to find lead-compounds in billion-sized libraries".It has been a long time in the making but I am very happy of how things turned out. .
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RT @SocEspQuimTerap: 📅 Save the date! . From June 15-18, 2025, @SocEspQuimTerap will host its 21st National Meeting at @cicCartuja and @uni….
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RT @IQTCUB: Many thanks to Nicoletta, Gemma and Mireia for their interesting talks!.#InternationalDayofWomenandGirlsinScience .@QuimicaUB @….
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A bit offtopic, but since you read this far, you may be interested in the research of the CMD Lab. New updates about our research will soon debute in another social network, but happy to leave in a a positive note. Maybe I'll read u soon under bluer skies! đź‘‹.
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David Escudero, Maria Garcia-Alai, Robert Schmidt, Matthias Rarey, Patrick Aloy and @cgaldeano82.
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This was a huge effort, devised by @XavierBarril and spearheaded by @AlvaroSerMorras and @andreabertran_ . Thanks a lot to everyone that contributed: @MarinaMinarro @acomajuncosa Adria Cabello, Carme Labranya, Carmen Escudero, Tian Tian, @EnamineLtd, @LucasADefelipe . .
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We achieve this by first sampling the fragment-like chemical space to identify suitable starting points and growing the most promising fragments into molecules using SpaceMACS. 85 compounds were purchased from Enamine and tested by SPR, DSF, X-ray crystallography and TR-FRET.
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In this work we used a hierarchy of computational methods to prospectively identify (and validate experimentally) 19 BRD4 (BD1) binders while throughly exploring the 1% most promising space of the Enamine REAL collection and wasting no effort on the less promising 99%.
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On-demand chemical collections could be transformative for the future of drug discovery, but exhaustively docking these libraries is not scalable nor sustainable with their current growth rate.
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RT @ALLODD_ITN: 🎉New #ALLODD publication in @JCIM_JCTC by ESR10 Sonja Peter @SonjaPeter4 ( @NxeraPharma. "Comparati….
pubs.acs.org
The steadily growing number of experimental G-protein-coupled receptor (GPCR) structures has revealed diverse locations of allosteric modulation, and yet few drugs target them. This gap highlights...
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RT @zoecournia: We are organizing a Conference on Allostery in Drug Discovery at @BRFAA_IIBEAA. Slots for oral and poster presentations are….
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RT @marcvanderkamp: Want to help use machine-learned potentials to efficiently predict enzyme activity & selectivity?..
findaphd.com
PhD Project - Funded PhD open to UK-domiciled, home fee applicants of Black African, Black Caribbean or other Black or mixed Black heritage - Predicting biocatalyst stereoselectivity using biomolec...
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RT @IQTCUB: On November 20th at 16:00h, the Mini-symposium on Materials and Catalysis: Experiments and Modelling will take place at the Sal….
iqtc.ub.edu
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RT @Farmacia_UB: 🔬 #SeminarideRecerca 'Oniria Therapeutics: una spin-off de la UB que desenvolupa fà rmacs contra el cà ncer'. amb el Dr Carl….
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Well, ten years, almost to the day, from my PhD viva. I got tenure!!! Thanks to all the students, supervisors, colleagues and friends that make this possible!
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RT @ALLODD_ITN: 📢 Join us at the European Conference on Allostery in Drug Discovery! 🌍💊. 📅 Date: April 9-11, 2025.📍 Location: Biomedical Re….
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RT @nixcraft: Microsoft's latest update for Windows 11 (with Copilot+) includes a feature called "Recall" that you might want to disable. T….
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RT @IQTCUB: This year's annual IQTC Meeting will take place on October 30th and 31st at Aula Magna Enric Casassas. Check out the program an….
iqtc.ub.edu
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