A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

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Protein effects in non-heme iron enzyme catalysis: insights from multiscale models.NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native FeII O2 Reaction.

P2860

Q38882719-8877E650-7597-43EF-9A03-5B583F458DFB Q55001908-B1CD9AC4-1396-4B93-A0DA-F05CACB6CC7C

P2860

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

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http://www.wikidata.org/entity/Q46884110

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2014 nî lūn-bûn

@nan

2014年の論文

@ja

2014年学术文章

@wuu

2014年学术文章

@zh

2014年学术文章

@zh-cn

2014年学术文章

@zh-hans

2014年学术文章

@zh-my

2014年学术文章

@zh-sg

2014年學術文章

@yue

2014年學術文章

@zh-hant

name

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@en

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@nl

type

Item

label

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@en

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@nl

prefLabel

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@en

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@nl

P1476

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

@en

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Evidence for a high-spin Fe(IV) species in the catalytic cycle of a bacterial phenylalanine hydroxylase

Density-functional thermochemistry. III. The role of exact exchange

Crystal structure of naphthalene dioxygenase: side-on binding of dioxygen to iron

Comparison of multiple Amber force fields and development of improved protein backbone parameters

Stereospecific alkane hydroxylation by non-heme iron catalysts: mechanistic evidence for an Fe(V)=O active species.

Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.

Molecular Dynamics Simulation of Nitrobenzene Dioxygenase Using AMBER Force Field

Direct spectroscopic evidence for a high-spin Fe(IV) intermediate in tyrosine hydroxylase.

Near-IR MCD of the nonheme ferrous active site in naphthalene 1,2-dioxygenase: correlation to crystallography and structural insight into the mechanism of Rieske dioxygenases.

P304

13889-13899

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P31

scholarly article

P356

10.1039/C4CP01030B

http://www.w3.org/2001/XMLSchema#string

P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Piotr Paneth

Inacrist Geronimo

P577

2014-06-04T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

24898662

http://www.w3.org/2001/XMLSchema#string

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

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P2860

P2860

A DFT and ONIOM study of C-H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase.

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type

label

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P1433

P1476

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P356

P1433

P1476

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698