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doi: 10.3389/fmed.2026.1743905 Received 11 November 2025 Revised 15 April 2026 Accepted 27 April 2026 Published 13 May 2026 Volume 13 - 2026 Edited by Rong Jin, Penn State Milton S

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All MD simulations were performed with the program package GROMACS (version 2020.4) 32 using the GROMOS 54a7 force field 33

Hypotheses 146, 14

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