Open access
Jul 2026
Molecular Dynamics and Free Energy Calculations Predict Binding Mode and Affinity Determinants of Specialized Pro-Resolving Mediators at GPR101
These results provide the first atomistic model of SPM binding to GPR101 and establish an RBFE-guided framework for designing next-generation pro-resolving mediator analogs with enhanced pro-resolving effects and stability.
D. Hasselstrøm, Majd Awad, T. Hansen et al.
· ACS Omega · 0 citations