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Identification of potential modulators for human GPD1 by docking-based virtual screening, molecular dynamics simulations, binding free energy calculations, and DeLA-drug analysis

Crossref DOI link: https://doi.org/10.1038/s41598-024-61439-y

Published Online: 2024-06-19

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

Authors

Hu, Anzheng

Chen, Hongwei

Pang, Wenwei

Pu, Xiaojie

Qi, Zhongquan

Chen, Haiyan
Funding

Funding for this research was provided by:

National key research and development program of China (2018YFA0108304)

College Student Innovation and Entrepreneurship Training Program of Guangxi University (202210593534)
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Text and Data Mining valid from 2024-06-19

Version of Record valid from 2024-06-19
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Article History

Received: 10 July 2023

Accepted: 6 May 2024

First Online: 19 June 2024

Competing interests

: The authors declare no competing interests.

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