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Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins

Zongfan Yang, Rebecca M. Twidale, Silvia Gervasoni, Reynier Suardíaz, Charlotte K. Colenso, Eric J. M. Lang, James Spencer, Adrian J. Mulholland. Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins. Journal of Chemical Information and Computer Sciences, 61(11):5658-5672, 2021. [doi]

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