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Computational Studies into Iron-Base...

Gherib, Rami.

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Computational Studies into Iron-Based Biocatalysis.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Computational Studies into Iron-Based Biocatalysis./
Author:	Gherib, Rami.
Description:	156 p.
Notes:	Source: Masters Abstracts International, Volume: 53-04.
Contained By:	Masters Abstracts International53-04(E).
Subject:	Biochemistry. -
Online resource:	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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100 1 $a Gherib, Rami. $3 3180593
245 1 0 $a Computational Studies into Iron-Based Biocatalysis.
300 $a 156 p.
500 $a Source: Masters Abstracts International, Volume: 53-04.
500 $a Adviser: James W. Gauld.
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.
590 $a School code: 0115.
650 4 $a Biochemistry. $3 518028
650 4 $a Inorganic chemistry. $3 3173556
650 4 $a Chemistry. $3 516420
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710 2 $a University of Windsor (Canada). $b CHEMISTRY AND BIOCHEMISTRY. $3 2096833
773 0 $t Masters Abstracts International $g 53-04(E).
790 $a 0115
791 $a M.Sc.
792 $a 2014
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=1562234