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Computational Studies into Iron-Base...

Gherib, Rami.

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Computational Studies into Iron-Based Biocatalysis.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computational Studies into Iron-Based Biocatalysis./
作者:	Gherib, Rami.
面頁冊數:	156 p.
附註:	Source: Masters Abstracts International, Volume: 53-04.
Contained By:	Masters Abstracts International53-04(E).
標題:	Biochemistry. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=1562234
ISBN:	9781321090314

Computational Studies into Iron-Based Biocatalysis.
Gherib, Rami.

Computational Studies into Iron-Based Biocatalysis. - 156 p.

Source: Masters Abstracts International, Volume: 53-04.

Thesis (M.Sc.)--University of Windsor (Canada), 2014.

Iron-containing enzymes are ubiquitous in nature and play several key roles in living organisms. Unfortunately, like many other types of enzymes, their catalytic mechanisms are often elusive. The work presented herein investigates computationally the catalytic processes of three iron-containing enzymes: glycerophosphosdiesterase from Enterobacter aerogenes (GpdQ), coral allene oxide synthase (cAOS) and S-ribosylhomocysteinase (LuxS). While some were investigated primarily using density functional theory (DFT), others used quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics (MD) simulations in a complementary fashion.

ISBN: 9781321090314Subjects--Topical Terms:

518028
Biochemistry.

Computational Studies into Iron-Based Biocatalysis.
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245 1 0 $a Computational Studies into Iron-Based Biocatalysis.
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502 $a Thesis (M.Sc.)--University of Windsor (Canada), 2014.
520 $a Iron-containing enzymes are ubiquitous in nature and play several key roles in living organisms. Unfortunately, like many other types of enzymes, their catalytic mechanisms are often elusive. The work presented herein investigates computationally the catalytic processes of three iron-containing enzymes: glycerophosphosdiesterase from Enterobacter aerogenes (GpdQ), coral allene oxide synthase (cAOS) and S-ribosylhomocysteinase (LuxS). While some were investigated primarily using density functional theory (DFT), others used quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics (MD) simulations in a complementary fashion.
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650 4 $a Inorganic chemistry. $3 3173556
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