Title :
Computational Enzymology: Promises and Challenges
Author :
Lamoureux, Guillaume
Author_Institution :
Dept. of Chem. & Biochem., Concordia Univ., Montreal, QC
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;
Conference_Titel :
High Performance Computing Systems and Applications, 2008. HPCS 2008. 22nd International Symposium on
Conference_Location :
Quebec City, Que.
Print_ISBN :
978-0-7695-3250-9
DOI :
10.1109/HPCS.2008.33
