Gerald Platzer
@geraldplatzer.bsky.social
CSO @ Resonate Bio | Vienna - Austria 🧲 NMR Spectroscopy in Drug Discovery and Design | Structural Chemistry | Molecular Recognition
PhD position in NMR-based structural biology in the Reid Alderson lab at Helmholtz Munich, the Bavarian NMR Center www.bnmrz.org the Technical University of Munich, solution-state NMR, protein biochemistry & AI-based computational modeling, contact @reidalderson.bsky.social #NMRjobs #NMRchat 🧲
BNMRZ - Bayerisches NMR-Zentrum
bnmrz.org
Just out: NMR-driven structure-based drug discovery by unveiling molecular interactions
NMR-driven structure-based drug discovery by unveiling molecular interactions
Communications Chemistry, Published online: 31 May 2025; doi:10.1038/s42004-025-01542-xHigh-resolution 3D structural data are essential for drug discovery, yet X-ray crystallography has limitations in guiding medicinal chemistry. Here, the authors discuss the use of solution-state NMR spectroscopy with selective side-chain labeling and advanced computational workflows to produce accurate protein-ligand ensembles, enhancing structural insights for medicinal chemists and enabling high-throughput applications.
bit.ly
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....
Probing Protein–Ligand Methyl−π Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups
Fragment-based drug design is heavily dependent on the optimization of initial low-affinity binders. Herein we introduce an approach that uses selective labeling of methyl groups in leucine and isoleu...
doi.org
Machine Learning in Drug Discovery Resources page updated for 2025. github.com/PatWalters/r...
GitHub - PatWalters/resources_2025: Machine Learning in Drug Discovery Resources 2024
Machine Learning in Drug Discovery Resources 2024. Contribute to PatWalters/resources_2025 development by creating an account on GitHub.
github.com
📢 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
From Weak Interactions to Strong Affinity: Deciphering the Streptavidin-Biotin Interaction through NMR and Computational Analysis
Understanding weak interactions in protein-ligand complexes is essential for advancing drug design. Here, we combine experimental and quantum mechanical approaches to study the streptavidin-biotin com...
biorxiv.org