Complexes of a Zn‐metalloenzyme binding site with hydroxamate‐containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown
Nohad Gresh(Sorbonne Université), L. Salmon(Université Paris-Sud), Jean‐Philip Piquemal(Centre National de la Recherche Scientifique), David Pérahia(École Normale Supérieure Paris-Saclay), Johanna Foret(Centre National de la Recherche Scientifique), Lea El‐Khoury(Centre National de la Recherche Scientifique), Céline Roux(Centre National de la Recherche Scientifique), Benoît de Courcy(Centre National de la Recherche Scientifique)
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