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Author

YiXuan Tu

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Jul 2026

Identification of allosteric sites and allosteric inhibitors in the glucose-dependent insulinotropic polypeptide receptor via molecular simulations.

This study provides potential lead compounds for the design of small-molecule allosteric drugs targeting class B1 GPCRs and performs conformational sampling and combined dynamic pocket detection algorithms, MDpocket and FTMove, to identify six characteristic cryptic pockets within the dynamic trajectories.

Zhi Dong, Long Cheng, Qingxin Shi et al. · 0 citations