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2008 22nd International Symposium on High Performance Computing Systems and Applications
June 09-June 11
ISBN: 978-0-7695-3250-9
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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