A Quantum Computing Pipeline for Real World Drug Discovery: From Algorithm to Quantum Hardware
Weitang Li, Zhi Yin, Xiaoran Li, Dongqiang Ma, Shuang Yi, Zhenxing Zhang, Chenji Zou, Kunliang Bu, Maochun Dai, Jie Yue, Yu Chen, Xiaojin Zhang, Shengyu Zhang
This paper develops a quantum computing pipeline for drug discovery, focusing on Gibbs free energy profiles and covalent bond simulations, demonstrating its potential for real-world applications.
bioRxiv · Jan 8, 2024 · PreprintBioinformatics