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🎧 Can structure-based modeling truly predict GPCR behavior—or only explain it after the fact? What happens when molecular dynamics, docking screens, and machine learning collide with receptor pharmacology? This episode offers a candid, behind-the-scenes look at how computational modeling is reshaping ligand discovery and GPCR assay design for real-world drug development. 👤 Meet Jens Carlsson A leading voice in computational pharmacology, Jens is a Professor of Computational Biochemistry at Uppsala University. His group explores GPCR structure, receptor signaling, and ligand design through molecular modeling and AI, bridging in silico predictions with experimental pharmacology. His journey—from a self-described “lousy experimentalist” to architecting predictive models—offers a rare lens on how theory and experiment meet in GPCR drug discovery. 🔍 What You’ll Learn / Key Topics How predictive modeling shifts GPCR research from post-hoc explanations to actionable forecasts Why early collaborations between computational and experimental teams accelerate assay development How receptor structure, ligand chemistry, and assay sensitivity define success in drug discovery tools What it takes to translate molecular docking hits into pharmacologically relevant GPCR ligands How AI and structure prediction methods challenge (and sometimes beat) traditional modeling Why building a shared scientific language across disciplines matters more than ever for innovation ⏱️ Timestamps 00:00 – Introduction 02:09 – Meet Dr. Jens Carlsson 04:30 – From “lousy experimentalist” to master modeler 07:45 – The California connection 10:25 – Predicting vs. explaining 12:45 – Academia, industry, and consulting 16:00 – Molecules, models, and collaboration 19:10 – The challenge of designing new ligands 23:30 – Lessons in collaboration 27:00 – Interpreting data together 30:00 – Advice to young scientists 33:30 – “Predict, not explain” 39:00 – Episode wrap-up 🔗 Guest Links Carlsson Lab: http://www.carlssonlab.org Uppsala University: https://www.uu.se/en/department/cell-... _____ 🧠 Want more like this? Join the Dr. GPCR Premium Ecosystem to unlock exclusive episodes, practical toolkits, and early access to GPCR University content. 👉 https://www.ecosystem.drgpcr.com/gpcr... _____ 🎥 Explore Terry’s Corner — expert-led GPCR and pharmacology training built for discovery scientists. Get real-world frameworks, on-demand lessons, and live AMAs with Dr. Terry Kenakin — plus a 7-day free trial to explore it all. 💎 $2999/year (Dr. GPCR Premium members save 50%+ — check your Weekly News code) _____ Get to know our Partners: 👉 Celtarys Research • Company Page: https://www.ecosystem.drgpcr.com/celt... • Press Release: https://www.ecosystem.drgpcr.com/post... • Celtarys News: https://www.ecosystem.drgpcr.com/gpcr... 👉 Revvity • Company Page: https://www.ecosystem.drgpcr.com/revvity • Press Release : https://www.ecosystem.drgpcr.com/post... • pHSense Reagents: https://www.revvity.com/category/phse... • GPCR Product Portfolio: https://www.revvity.com/category/gpcr... ______ Dr. GPCR is dedicated to fostering a collaborative ecosystem focused on GPCRs. By connecting researchers, sharing knowledge, and facilitating partnerships, the #DrGPCR Ecosystem provides resources to support advancements in GPCR drug discovery. The ecosystem encompasses a range of initiatives aimed at informing and engaging the scientific community, including courses, news updates, and networking opportunities. 🧭 Dr GPCR Links & Resources • Dr. GPCR Ecosystem: https://www.ecosystem.drgpcr.com/ • Membership & Pricing: https://www.ecosystem.drgpcr.com/univ... • Weekly News: https://www.ecosystem.drgpcr.com/gpcr...