Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach #Docking #DrugDiscovery pubs.acs.org/doi/10.1021/ac… MicheleRoggia Giorgio Amendola Sadimaro Sandro Cosconati #JCIM ASAP #ApplicationNote

Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach JCIM & JCTC Journals 1/ In this study, a novel hybrid AI-structure-based approach was developed to identify compounds that can target both G-quadruplex (G4) structures and the poly(ADP-ribose)