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Needle-in-a-haystack approach: rapid screening of PDE1C inhibitors through the combination of machine learning, molecular docking, molecular dynamics simulations and experimental validation

Crossref DOI link: https://doi.org/10.1007/s10822-025-00743-9

Published Online: 2025-12-29

Published Print: 2026-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Zhao, Yihuan

Fang, Kun

Yang, Qiandan

Yan, Jiawang

Zhou, Yaofeng
Funding

Funding for this research was provided by:

Guizhou Provincial Science and Technology Projects (No. Qiankehe Jichu (Basic Research) MS [2025] 372)

National Natural Science Foundation of China (Grant No. 22463013)
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Text and Data Mining valid from 2025-12-29

Version of Record valid from 2025-12-29
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Article History

Received: 2 September 2025

Accepted: 10 December 2025

First Online: 29 December 2025

Declarations

:

: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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