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physics.chem-ph2024
Quantum molecular docking with quantum-inspired algorithm
Yunting Li, Xiaopeng Cui, Zhaoping Xiong +5
Molecular docking (MD) is a crucial task in drug design, which predicts the position, orientation, and conformation of the ligand when bound to a target protein. It can be interpre…
physics.chem-ph2024★ 2 cited
Quantum-Inspired Machine Learning for Molecular Docking
Runqiu Shu, Bowen Liu, Zhaoping Xiong +5
Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and…