Computational Enzymology: Promises and Challenges

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2008 22nd International Symposium on High Performance Computing Systems and Applications

Computational Enzymology: Promises and Challenges (PDF)

June 09-June 11

ISBN: 978-0-7695-3250-9

	ASCII Text	x
	Guillaume Lamoureux, "Computational Enzymology: Promises and Challenges," High Performance Computing Systems and Applications, Annual International Symposium on, pp. 18, 2008 22nd International Symposium on High Performance Computing Systems and Applications, 2008.

	BibTex	x
	@article{ 10.1109/HPCS.2008.33, author = {Guillaume Lamoureux}, title = {Computational Enzymology: Promises and Challenges}, journal ={High Performance Computing Systems and Applications, Annual International Symposium on}, volume = {0}, year = {2008}, issn = {1550-5243}, pages = {18}, doi = {http://doi.ieeecomputersociety.org/10.1109/HPCS.2008.33}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, }

	RefWorks Procite/RefMan/Endnote	x
	TY - CONF JO - High Performance Computing Systems and Applications, Annual International Symposium on TI - Computational Enzymology: Promises and Challenges SN - 1550-5243 SP EP A1 - Guillaume Lamoureux, PY - 2008 KW - computational enzymology KW - protein structure-function relationships KW - zinc enzymes KW - transport proteins VL - 0 JA - High Performance Computing Systems and Applications, Annual International Symposium on ER -

Guillaume Lamoureux

DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/HPCS.2008.33

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. I will discuss aspects of these two problems with work on zinc enzymes and on ammonium transport proteins.

Index Terms:

computational enzymology, protein structure-function relationships, zinc enzymes, transport proteins

Citation:

Guillaume Lamoureux, "Computational Enzymology: Promises and Challenges," hpcs, pp.18, 2008 22nd International Symposium on High Performance Computing Systems and Applications, 2008

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