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Chasing allosteric inhibition of the SARS-CoV-2 PLpro via molecular dynamics simulations with flooding fragments (MDFFr)

Published Online: 2025-12-19

Published Print: 2026-12

Authors

Pattis, Jason

Elokely, Khaled

Gianti, Eleonora
Funding

Funding for this research was provided by:

University of Wyoming (UWYO) and School of Pharmacy (Startup funds)

RF Research Foundation and the City University of New York (CUNY) Queens College (Startup funds)
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Text and Data Mining valid from 2025-12-19

Version of Record valid from 2025-12-19
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Article History

Received: 31 August 2025

Accepted: 30 November 2025

First Online: 19 December 2025

Declarations

:

: The authors declare no competing interests.

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