Quantum algorithm for protein-ligand docking sites identification in the interaction space

Ioannis Liliopoulos, Georgios D. Varsamis, Theodora Karamanidou, Christos Papalitsas, Grigorios Koulouras, Vassilios Pantazopoulos, Thanos G. Stavropoulos, Ioannis G. Karafyllidis. Quantum algorithm for protein-ligand docking sites identification in the interaction space. Journal of Computer-Aided Molecular Design, 39(1):40, December 2025. [doi]

Abstract

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