Preprint
Aug 2026
Resource-Efficient Bio-Molecular Docking on a NISQ-era Digital Quantum Computer
A hybrid quantum-classical approach for molecular docking is proposed leveraging the MVWCP formalism with a variational full-basis encoding (FBE) strategy, which enables efficient encoding of classical binary variables with Bloch sphere vectors and proves that a global minimizer of the FBE objective can always be chosen to be a pure product state.
Tianqi Chen, A. Mak, Jianguo Li et al.
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