Unravelling selectivity discrepancies of protoporphyrin binding to glutathione transferase A comparative analysis of molecular dynamic simulated versus implicit solventminimized protein models

Neo PadiSadhna MathuraIkechukwu Achilonu2025-08-11WOS1093-3263https://hdl.handle.net/10539/45806Unravelling selectivity discrepancies of protoporphyrin binding to glutathione transferase A comparative analysis of molecular dynamic simulated versus implicit solventminimized protein modelsJournal Article