Molecular determinants of antagonist interactions with chemokine receptors CCR2 and CCR5
J. R. D. Dawson, G. M. Wadman, P. Zhang, A. J. Tebben, P. H. Carter, S. Gu, T. Shroka, L. Borrega-Roman, C. Salanga, T. M. Handel, I. Kufareva
This study identifies molecular determinants of CCR2 and CCR5 antagonist interactions using docking and AI screening, revealing structural principles and selectivity mechanisms.
bioRxiv · Nov 15, 2023 · PreprintPharmacology & Toxicology