ArticleJournal of molecular modeling2025
Quantum-topological simulation of Berry phase-induced fentanyl-μ-opioid receptor dissociation via terahertz vortex fields.
Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
contextFentanyl's sub-nanomolar affinity and ultra-slow dissociation from the μ-opioid receptor (μOR) limit the efficacy of pharmacological antagonists like naloxone in acute overdose. We propose a non-pharmacological strategy in which structured terahertz (THz) vortex fields imprint a geometric (Berry) phase on the ligand-receptor complex to selectively bias unbinding pathways without bulk heating. This approach targets the quantum-coherent control of the dissociation coordinate through topological phase engineering.
methodWe formulated the quantum dynamics on a curved 2D reaction manifold
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