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Identification of potential inhibitors of the E2 protein of Eastern equine encephalitis virus (EEEV) using molecular docking, density functional theory, and molecular dynamics simulations: an in silico approach

Crossref DOI link: https://doi.org/10.1007/s11696-025-03988-8

Published Online: 2025-03-14

Published Print: 2025-05

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

Authors

Naeem, Iqra

Shah, Syed Sib Tul Hassan https://orcid.org/0009-0009-5993-9876
Qi, Zhechen

Bibi, Maria

Iqbal, Syeda Saira
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Text and Data Mining valid from 2025-03-14

Version of Record valid from 2025-03-14
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Article History

Received: 8 November 2024

Accepted: 22 February 2025

First Online: 14 March 2025

Declarations

:

: The authors declare that they have no conflict of interest.

: The authors declare that they have no competing interests. We assure the integrity and quality of our research work. It is also stated that there is no plagiarism in this work, and all points taken from other authors are well cited in the text. This study is entirely independent and impartial.

: Our study did not require ethical board approval because it did not contain human or animal trials. This research did not involve human participants and animals.

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