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Yinglong Miao

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Open access Aug 2026

Benchmarking Docking Protocols for GPCR Allosteric Modulators

GaMD ensemble docking improved early AM enrichment across all four targets under at least one program, and the Boltz-2 deep-learning program showed minimal sensitivity to GaMD templates and underperformed conventional docking, suggesting its affinity predictions complement rather than replace physics- and empirical-based docking approaches for GPCR AM screening.

T.D. Thompson, Yinglong Miao · 0 citations