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A Ferrocene–Peptide Conjugate as a Hydrogenase Model System

✍ Scribed by Xavier de Hatten; Eberhardt Bothe; Klaus Merz; Ivan Huc; Nils Metzler-Nolte

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
374 KB
Volume
2008
Category
Article
ISSN
1434-1948

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Force-Field Development and Molecular Dynamics Simulations of Ferrocene–Peptide Conjugates as a Scaffold for Hydrogenase Mimics
✍ Xavier de Hatten; Zoe Cournia; Ivan Huc; Jeremy C. Smith; Nils Metzler-Nolte 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 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 ferrocene–peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mech