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Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid database

Abstract:

Comparative molecular dynamics (MD) simulations enable us to explore the conformational dynamics of the active sites of distantly related enzymes. We have used the BioSimGrid (http://www.biosimgrid.org) database to facilitate such a comparison. Simulations of four enzymes were analyzed. These included three hydrolases and a transferase, namely acetylcholinesterase, outer-membrane phospholipase A, outer-membrane protease T, and PagP (an outer membrane enzyme which transfers a palmitate chain f...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Author's Original

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Files:
Publisher copy:
10.1016/j.jmgm.2006.08.010
Journal:
Journal of Molecular Graphics and Modelling Journal website
Volume:
25
Issue:
6
Pages:
896-902
DOI:
ISSN:
1093-3263
URN:
uuid:d1c2ce57-578d-4d44-939f-9a383c42befe
Local pid:
ora:956

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