Identifying the Enzymatic Mode of Action for Cellulase Enzymes by Means of Docking Calculations and a Machine Learning Algorithm

Identifying the Enzymatic Mode of Action for Cellulase Enzymes by Means of Docking Calculations and a Machine Learning Algorithm

Docking calculations have been conducted on 36 cellulase enzymes and the results were evaluated by a machine learning algorithm to determine the nature of the enzyme (i.e. endo- or exo- enzymatic activity). The docking calculations have also been used to identify crucial substrate-enzyme interaction...

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Bibliographic Details
Main Authors: Somisetti V. Sambasivarao, David M. Granum, Hua Wang, C. Mark Maupin
Format: Article
Language:English
Published: AIMS Press 2014-01-01
Series:AIMS Molecular Science
Subjects:
Carboxymethyl cellulose
Cellobiohydrolase
Cellobiose
Cellulase
Docking
Endoglucanase
Machine learning
Product inhibition
Online Access:http://www.aimspress.com/article/10.3934/molsci.2014.1.59/fulltext.html

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http://www.aimspress.com/article/10.3934/molsci.2014.1.59/fulltext.html

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