2 citations · 2 across the 4 of their papers we have counts for
4 papers
Efficient molecular conformation generation with quantum-inspired algorithm
Yunting Li, Xiaopeng Cui, Zhaoping Xiong +7
Conformation generation, also known as molecular unfolding (MU), is a crucial step in structure-based drug design, remaining a challenging combinatorial optimization problem. Quant…
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…
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…
Q-Drug: a Framework to bring Drug Design into Quantum Space using Deep Learning
Zhaoping Xiong, Xiaopeng Cui, Xinyuan Lin +5
Optimizing the properties of molecules (materials or drugs) for stronger toughness, lower toxicity, or better bioavailability has been a long-standing challenge. In this context, w…