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Functional Roles of a Structural Element Involving Na-π Interactions in the Catalytic Site of Ti Lipase Revealed by Molecular Dynamics Simulations.

Interactions between metal ions and π systems (metal-π interactions) are known to confer significant stabilization energy. However, in biological systems, few structures with metal-π coordination have been determined; thus, its roles must still be elucidated. The cation-π interactions are not correc...

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Published in:Journal of the American Chemical Society Vol. 131; no. 46; pp. 16697 - 16705
Main Authors: Hagiwara, Yohsuke, Matsumura, Hiroyoshi, Tateno, Masaru
Format: Article
Published: American Chemical Society 11/25/2009
Subjects:
Metal ions
Molecular dynamics
Lipases
Enthalpy
Ligands (Chemistry)
Online Access:View this record in EBSCOhost