Benchmarking biomolecular force field‐based Zn2+ for mono‐ and bimetallic ligand binding sites
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DOI: 10.1002/jcc.27052
Abstract: Zn2+ is one of the most versatile biologically available metal ions, but accurate modeling of Zn2+‐containing metalloproteins at the biomolecular force field level can be challenging. Since most Zn2+ models are parameterized in bulk solvent,… read more here.
Keywords: ligand binding; biomolecular force; zn2 models; force field ... See more keywords