Computational characterization of homologous ligands binding to a deep hydrophobic pocket in Shigella flexneri pilot protein MxiMarticle Published on 2022-12-312024-09-01 Journal: Proteins: Structure, Function, and Bioinformatics [Category] 세균성이질, [키워드] Free energy calculations hydrophobic pocket molecular dynamics MxiM protein-ligand binding [Article Type] article