🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

The closing date for nominations for this year’s MGMS Frank Blaney Award is on Friday 3rd November (i.e., at the end of this week). Please see mgms.org/WordPress/mgms… for further details.

Lively discussion at #NIHPC23 user conference on transitioning research to HPC. Topics included software/hardware needs, sustainability, cloud services, and planning for 2024 conference. NI-HPC QUB Pharmacy School ni-hpc.ac.uk/NI-HPCUserConf…

Thrilled to share our study on FFA1, 2 & 4 receptors, a collaboration with Cheng Zhang & Graeme Milligan labs, now published in Science Advances! A decade-long journey for me from homology modeling of FFARs to working with CryoEM structures. science.org/doi/10.1126/sc…

Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultra-large Chemical Spaces pubs.acs.org/doi/10.1021/ac…

Our PhD student Akim Guseinov wowed kids & parents at NI Science Fest NI Science Festival Wellcome-Wolfson Institute Experimental Medicine today. Using fun videos & games, he explained how we can model receptors on computers to help design new medicines. QUB Pharmacy School #NISF24

Calling membrane protein enthusiasts!  The Caffrey Lab Trinity College Dublin is hiring a creative, motivated Postdoc with expertise in recombinant membrane protein production, purification, functional characterization & X-ray crystallography/cryo-EM. Email to Martin Caffrey  Apply now! 🚀

Our article "Alchemical Free Energy Calculations on Membrane-Associated Proteins" JCIM & JCTC Journals ACS Publications is now open-access! Read it here: pubs.acs.org/doi/10.1021/ac… Michail Papadourakis Brannigan Lab Herman van Vlijmen Chris de Graaf Gary Tresadern F Deflorian M Cecchini ALLODD

Structure is beauty, but not always truth: sciencedirect.com/science/articl…

“Structural pharmacology and therapeutic potential of 5-methoxytryptamines” by Audrey Warren et al. Nature nature.com/articles/s4158… 3/3

Cryo-EM structure of the bicarbonate receptor GPR30 | bioRxiv biorxiv.org/content/10.110…

AI will augment, not replace, chemists; those who integrate AI into their work will thrive. cen.acs.org/business/infor….

Join us Oct 4, 2024 GSK Stevenage for "Computational Drug Design – A Tribute to Frank Blaney" symposium! 🧬💻 · Quantum calculations · AI in drug discovery · Multi-scale simulations 150 spots only! Register now: irinatkhnv.wixsite.com/fb-symposium #DrugDiscovery #AIinPharma MGMS

Just published: Our study reveals key insights into CCR4 allosteric modulation using advanced computational methods and experimental validation. We identified crucial residues for GSK2239633A binding, potentially guiding future drug design efforts. #GPCRs pubs.acs.org/doi/10.1021/ac…

Congratulations to Tianyi Ding on successfully defending her PhD thesis today! 🎉👩‍🎓 Many thanks to examiners Dr Richard Richard Bryce and Dr Timofey Skvortsov and to Dr Lalitkumar Vora for chairing. QUB Pharmacy School #LoveQUB #GPCR #PhDLife

It’s not long now until “QM in Pharma” 2024! 📍SOAS, London 🗓️ 18th September 2024 This one-day meeting will highlight some of the cutting edge research in Quantum Mechanics being performed in the pharmaceutical industry. Find out more here: qminpharma.wordpress.com

📢 One Month Left: Computational Drug Design Symposium 🗓️ October 4th, 2024 📍 GSK Medicines Research Centre, Stevenage Join us to explore cutting-edge computational methods in drug discovery. Register now: irinatkhnv.wixsite.com/fb-symposium #ComputationalChemistry #DrugDiscovery

Celebrating milestones with our amazing research group! 🎓 Proud of Dr. Tianyi Ding s PhD graduation on Thursday followed by our festive Christmas lunch on Friday. What a way to end the year! 🎄

Thanks David and Jana for the opportunity to participate in this work : Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways | Nature Communications nature.com/articles/s4146…

🎓 Congratulations to PhD student Akim Guseinov on passing his viva today! Thanks to examiners Prof Dmitry Veprintsev and Dr Gareth Tribello, and chair Dr Sheiliza Carmali. Amazing that his research was also published in Nature today - fantastic success! 🎉