QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase

Yuemin Liu; August A. Gallo; Jan Florián; Yen Shan Liu; Sandeep Mora; Wu Xu

doi:10.1021/jp910349q

QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B₁₂-independent dehydratase

Yuemin Liu, August A. Gallo, Jan Florián, Yen Shan Liu, Sandeep Mora, Wu Xu

Department of Chemistry and Biochemistry

University of Louisiana at Lafayette

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	5497-5502
Number of pages	6
Journal	Journal of Physical Chemistry B
Volume	114
Issue number	16
DOIs	https://doi.org/10.1021/jp910349q
State	Published - Apr 29 2010

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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10.1021/jp910349q

Cite this

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title = "QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase",

author = "Yuemin Liu and Gallo, \{August A.\} and Jan Flori{\'a}n and Liu, \{Yen Shan\} and Sandeep Mora and Wu Xu",

year = "2010",

month = apr,

day = "29",

doi = "10.1021/jp910349q",

language = "English",

volume = "114",

pages = "5497--5502",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

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TY - JOUR

T1 - QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase

AU - Liu, Yuemin

AU - Gallo, August A.

AU - Florián, Jan

AU - Liu, Yen Shan

AU - Mora, Sandeep

AU - Xu, Wu

PY - 2010/4/29

Y1 - 2010/4/29

UR - https://www.scopus.com/pages/publications/77951604535

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U2 - 10.1021/jp910349q

DO - 10.1021/jp910349q

M3 - Article

AN - SCOPUS:77951604535

SN - 1520-6106

VL - 114

SP - 5497

EP - 5502

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 16

ER -

QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase

ASJC Scopus Subject Areas

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QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B₁₂-independent dehydratase