"Incorporation of Ligand Charge and Metal Oxidation State Considerations ..."

Marco Gibaldi et al. (2025)

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DOI: 10.1021/ACS.JCIM.4C01897

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type: Journal Article

metadata version: 2025-05-31

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Marco Gibaldi, Anna Kapeliukha, Andrew White, Tom K. Woo:
Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular Simulation. J. Chem. Inf. Model. 65(1): 275-287 (2025)

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