A Comparison of Bonded and Nonbonded Zinc(II) Force Fields with NMR Data
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DOI: 10.3390/ijms24065440
Abstract: Classical molecular dynamics (MD) simulations are widely used to inspect the behavior of zinc(II)-proteins at the atomic level, hence the need to properly model the zinc(II) ion and the interaction with its ligands. Different approaches… read more here.
Keywords: zinc proteins; behavior zinc; zinc; nmr data ... See more keywords