DocumentCode
1998572
Title
Computational Enzymology: Promises and Challenges
Author
Lamoureux, Guillaume
Author_Institution
Dept. of Chem. & Biochem., Concordia Univ., Montreal, QC
fYear
2008
fDate
9-11 June 2008
Firstpage
18
Lastpage
18
Abstract
With the steady increase of computing power, it will soon become conceivable to decode the function of an enzyme strictly from its molecular structure. To realize this ambitious goal, progress has to be made on two fronts: (1) the realism of the molecular models used in the simulations and (2) the speed at which these models can be computed. The author discuss aspects of these two problems with work on zinc enzymes and on ammonium transport proteins.
Keywords
biology computing; enzymes; molecular biophysics; molecular configurations; ammonium transport proteins; computational enzymology; molecular structure; zinc enzymes; Biochemistry; Chemistry; Computational modeling; Computer applications; Decoding; High performance computing; Proteins; Zinc; computational enzymology; protein structure-function relationships; transport proteins; zinc enzymes;
fLanguage
English
Publisher
ieee
Conference_Titel
High Performance Computing Systems and Applications, 2008. HPCS 2008. 22nd International Symposium on
Conference_Location
Quebec City, Que.
ISSN
1550-5243
Print_ISBN
978-0-7695-3250-9
Type
conf
DOI
10.1109/HPCS.2008.33
Filename
4556067
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