Multiple poses and thermodynamics of ligands targeting protein surfaces: the case of furosemide binding to mitoneet in aqueous solution

HIGHLIGHTS

• who: Linh Gia Hoang et al. from the United Kingdom University of Gdansk, Poland have published the research: Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution, in the Journal: (JOURNAL)
• what: This approach has already been successfully applied to study ligand binding to proteins with very high computational efficiency (Zhao et_al, 2021). The authors focus on the furosemide (4-Chloro-2-[(furan-2-ylmethyl) amino]-5-sulfamoylbenzoic acid) molecule (Chart 1), which slows down cluster release in_vitro, and its binding to mitoNEET in the . . .
  

   

  

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