BiochemistrybioRxivPreprint
Beyond the 1:1 Ligand-Protein Paradigm: An In Silico Assay for Competitive Ligand Binding
Vince Bart Cardenas, Stefano Raniolo, Paolo Conflitti, Vittorio Limongelli
The paper introduces a coarse-grained MD approach to simulate competitive ligand binding at the adenosine A2A receptor, revealing cooperative mechanisms in ligand competition.