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Author

J. Irwin

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Open access Sep 2026

Structure based discovery of antipsychotic-like TAAR1 agonists

Fourteen TAAR1 agonists emerge with high brain exposure and potencies, with one compound showing potency comparable to the investigational drug ulotaront and two compounds exhibiting even greater potency, at levels sufficient for behavioral studies.

Si-Jie Huang, Heng Liu, Yu-Jin Wu et al. · 0 citations
Open access Jul 2026

Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP

A similarity-based prioritization approach, ChemSTEP, is introduced, and the effective size of a library treated by any prioritization algorithm, Neff is defined, which suggests trillion-molecule libraries might be in reach with this approach.

Olivier Mailhot, Katie L. Holland, Lu Paris et al. · 0 citations

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