Authors: Weitang Li, Zhi Yin, Xiaoran Li, Dongqiang Ma, Shuang Yi, Zhenxing Zhang, Chenji Zou, Kunliang Bu, Maochun Dai, Jie Yue, Yuzong Chen, Xiaojin Zhang, Shengyu Zhang

Published on: January 08, 2024

Impact Score: 8.15

Arxiv code: Arxiv:2401.03759

Summary

• What is new: Development of an advanced quantum computing pipeline specifically tailored for real-world drug design challenges, focusing on prodrug activation and covalent bond interactions.
• Why this is important: Existing research on quantum computing in drug discovery is limited to proof-of-concept studies that do not address the complexities of real-world drug development.
• What the research proposes: A versatile quantum computing pipeline designed for precise determination of Gibbs free energy profiles and accurate simulation of covalent bond interactions in drug discovery.
• Results: Demonstrates the potential of integrating quantum computing pipelines into real-world drug design workflows, presenting a significant advancement over traditional computational methods.

Technical Details

Technological frameworks used: nan

Models used: nan

Data used: nan

Potential Impact

Pharmaceutical industries, quantum computing technology providers, and companies specializing in drug discovery and development could benefit or face disruption.

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