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Computational Investigations on Enzy...

Simard, Daniel.

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Computational Investigations on Enzymatic Catalysis and Inhibition.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computational Investigations on Enzymatic Catalysis and Inhibition./
作者:	Simard, Daniel.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2015,
面頁冊數:	131 p.
附註:	Source: Masters Abstracts International, Volume: 55-02.
Contained By:	Masters Abstracts International55-02(E).
標題:	Physical chemistry. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=1602959
ISBN:	9781339191324

Computational Investigations on Enzymatic Catalysis and Inhibition.
Simard, Daniel.

Computational Investigations on Enzymatic Catalysis and Inhibition. - Ann Arbor : ProQuest Dissertations & Theses, 2015 - 131 p.

Source: Masters Abstracts International, Volume: 55-02.

Thesis (M.Sc.)--University of Windsor (Canada), 2015.

Enzymes are the bimolecular "workhorses" of the cell due to their range of functions and their requirement for cellular success. The atomistic details of how they function can provide key insights into the fundamentals of catalysis and in turn, provide a blueprint for biotechnological advances. A wide range of contemporary computational techniques has been applied with the aim to characterize recently discovered intermediates or to provide insights into enzymatic mechanisms and inhibition. More specifically, an assessment of methods was conducted to evaluate the presence of the growing number 3-- and 4--coordinated sulfur intermediates in proteins/enzymes. Furthermore, two mechanisms have been investigated, the mu-OH mechanism of the hydrolysis of dimethylphosphate in Glycerophosphodiesterase (GpdQ) using five different homonuclear metal combinations Zn(II)/Zn(II), Co(II)/Co(II), Mn(II)/Mn(II), Cd(II)/Cd(II) and Ca(II)/Ca(II) as well as a preliminary study into the effectivness of boron as an inhibitor in the serine protease reaction of class A TEM-1 beta-lactamases.

ISBN: 9781339191324Subjects--Topical Terms:

1981412
Physical chemistry.

Computational Investigations on Enzymatic Catalysis and Inhibition.
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