Co 2+ /Co + redox tuning in methyltransferases induced by a conformational change at the axial ligand

Density functional theory and quantum mechanics/molecular mechanics computations predict cob(I)alamin (Co+Cbx), a universal B12 intermediate state, to be a pentacoordinated square pyramidal complex, which is different from the most widely accepted viewpoint of its tetracoordinated square planar geom...

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Bibliographic Details
Main Authors: Kozlowski, Pawel M., Kumar, Manoj, Kumar, Neeraj, Hirao, Hajime
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/96838
http://hdl.handle.net/10220/11575
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Institution: Nanyang Technological University
Language: English