Just out: NMR-driven structure-based drug discovery by unveiling molecular interactions

Beier et al (2024) Probing Protein–Ligand Methyl−π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J Med Chem ASAP #NMR #MedChem #FBDD #FBLD #DrugDesign #DrugDiscovery #OpenAccess #chemsky 🧪 doi.org/10.1021/acs....

📢 New preprint: a new isotope-labeling scheme for NMR studies of Arginines in proteins. Arginines are often found right where the action happens—like in the active site of enzymes. We use NMR to see their dynamics. chemrxiv.org/engage/chemr... Applications to large enzymes are on the way... #NMR

Machine Learning in Drug Discovery Resources page updated for 2025. github.com/PatWalters/r...

We appreciate the shout-out. Thank you! @nmr900.bsky.social 🙏

📢 New preprint! 📄 Deciphering the molecular forces behind the exceptional binding affinity of the streptavidin-biotin complex via NMR and QM. 🔍 Check it out: www.biorxiv.org/content/10.1... #StructuralBiology #NMR #ComputationalChemistry #DrugDiscovery

🚨 PhD Positions: Mitochondrial Protein Import/Integrated Structural Biology Find more info in the attached file or message me directly. I’ll get back to you as soon as I can! 🌟 Know someone perfect for this? Please share post. #PhDPositions #StructuralBiology #NMR #CryoEM #Mitochondria #Chaperone