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Metals on the move: zinc ions in cellular regulation and in the coordination dynamics of zinc proteins

✍ Scribed by Wolfgang Maret

Publisher
Springer Netherlands
Year
2011
Tongue
English
Weight
207 KB
Volume
24
Category
Article
ISSN
1572-8773

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## Abstract We have run several molecular dynamics (MD) simulations on zinc‐containing phosphotriesterase (PTE) with two bound substrates, sarin and paraoxon, and with the substrate analog diethyl 4‐methylbenzylphosphonate. A standard nonbonded model was employed to treat the zinc ions with the com