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Shaohua Li

3 papers indexed

arxivphysics.chem-phcs.LG2026-07-02

Q-Score: A Quantum-Native Scoring Function for Molecular Docking

Kangyu Zheng, Yidong Zhou, Ruihao Li, Zixin Ding, Zhiding Liang, Shaohua Li

Molecular docking predicts how a small molecule binds to a protein and is a key bottleneck in drug discovery. Classical scoring functions sum empirical pairwise contacts, blind to quantum-mechanical effects like orbital charge transfer that govern binding specificity. We introduc…

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crossrefProcesses2026-06-10

Fracturing Tracer Monitoring and Machine Learning-Assisted Geology-Engineering Coupled Optimization for Deep Coalbed Methane Horizontal Wells

Hong Zhuo, Zhangying Han, Shaohua Li, Xiuling He, Demei Zhang, Haibin Song, et al.

Evaluating the productivity contribution of individual fracturing stages in deep coalbed methane (CBM) horizontal wells remains a critical challenge, hindering the optimization of stimulation designs. This study systematically integrates dual-phase (aqueous and gaseous) fracturin…

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