Quantum-Inspired Machine Learning for Molecular Docking

no code implementations • 22 Jan 2024 • Runqiu Shu, Bowen Liu, Zhaoping Xiong, Xiaopeng Cui, Yunting Li, Wei Cui, Man-Hong Yung, Nan Qiao

Traditional docking by searching for possible binding sites and conformations is computationally complex and results poorly under blind docking.

Blind Docking Combinatorial Optimization