Force-Field Development and Molecular Dy
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Xavier deโ
Hatten; Zoe Cournia; Ivan Huc; Jeremyโ
C. Smith; Nils Metzler-Nolte
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Article
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2007
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John Wiley and Sons
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English
โ 832 KB
## Abstract The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferroceneโpeptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mech