A new molecular mechanics force field fo
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Peter Comba; Rainer Remenyi
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Article
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2002
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John Wiley and Sons
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English
β 187 KB
## Abstract A molecular mechanics force field for blue copper proteins has been developed, based on a rigid potential energy surface scan of the Cu^II^/His/His/Cys/Met chromophore, using DFT (B3LYP) calculations and the AMBER force field for the protein backbone. The strainβenergyβminimized structu