We identified a conserved G-quadruplex structure in the Zika virus's 3' terminal region, which interacts with human DEAD-box helicases, DDX3X and DDX17. These findings suggest new potential therapeutic targets for the development of treatments against the virus
This study presents an efficient technique for refining protein-RNA complexes using AI-based modeling and flexible docking. The method, utilizing parallel cascade selection molecular dynamics (PaCS-MD), accelerates conformational sampling of flexible RNA regions and produces high-quality complex models. Experimental validation demonstrates its superiority over template-based modeling, suggesting its potential for constructing complexes with non-canonical RNA-protein interactions.
In this contribution we study the association complexes of the RNA-binding protein Musashi-1 with different RNA motifs, using molecular dynamics simulations