Journal of biomolecular structure & dynamics
Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interaction.
Durr-E- Shahwar, Usama, Zahid Khan, Naveed Ahmad, Aktar Ali, Muhammad Imran
Published: 202610.1080/07391102.2026.2619869
Abstract
This study evaluated the impact of the rs1695 (Ile105Val) substitution on GSTP1 structural stability, phosphorylation accessibility, and interaction with ethacrynic acid (EA), as a substrate. Molecular dynamics (MD) simulations were conducted for wil…
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