Biomolecular models of EPI-X4 binding to CXCR4 allow the rational optimization of peptides with therapeutic potential
Pandian Sokkar, Mirja Harms, Christina Martina Stürzel, Andrea Gilg, Gönül Kızılsavaş, Martina Raasholm, Nico Preising, Manfred Wagner, Ludger Ständker, Gilbert Weidinger, Jan Münch, Elsa Sánchez‐García
The paper investigates how EPI-X4 binds to CXCR4 using simulations and experiments, leading to the design of more potent and safer CXCR4 antagonists.
bioRxiv · Oct 23, 2020 · PreprintMolecular Biology