Dynamic structures of phosphodiesterase-
β
Ying Xiong; Hai-Ting Lu; Chang-Guo Zhan
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Article
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2008
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John Wiley and Sons
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English
β 511 KB
## Abstract Various quantum mechanical/molecular mechanical (QM/MM) geometry optimizations starting from an xβray crystal structure and from the snapshot structures of constrained molecular dynamics (MD) simulations have been performed to characterize two dynamically stable active site structures o