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Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case study

Crossref DOI link: https://doi.org/10.1007/s10822-023-00528-y

Published Online: 2023-08-19

Published Print: 2023-12

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

Authors

Jaradat, Nour Jamal

Hatmal, Mamon

Alqudah, Dana

Taha, Mutasem Omar
Funding

Funding for this research was provided by:

Deanship of Scientific Research, University of Jordan
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Text and Data Mining valid from 2023-08-19

Version of Record valid from 2023-08-19
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Article History

Received: 2 May 2023

Accepted: 26 July 2023

First Online: 19 August 2023

Change Date: 19 October 2023

Change Type: Correction

Change Details: A Correction to this paper has been published:

Change Details: https://doi.org/10.1007/s10822-023-00540-2

Declarations

:

: The authors declare that they have no competing interests as defined by Springer, or other interests that might be perceived to influence the results and/or discussion reported in this paper.

: Not applicable.

: Not applicable.

: Not applicable.

Updates are available Correction dated 2023-10-19

Click to view Correction: https://doi.org/10.1007/s10822-023-00540-2