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Sequence-based drug-target binding site pre-training enables cryptic pocket detection and improves binding affinity and kinetics prediction

Published Online: 2026-05-20

Authors

Zhang, Shuo

Xie, Li

Tiourine, Daniel

Xie, Lei
Funding

Funding for this research was provided by:

National Institutes of Health (R01GM122845)

National Science Foundation (NSF2230354)

Northeastern University USA
License Information

Text and Data Mining valid from 2026-05-20

Version of Record valid from 2026-07-15
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Article History

Received: 4 February 2025

Accepted: 9 May 2026

First Online: 20 May 2026

Declarations

Competing interests: The authors declare no conflict of interest.

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