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    STUDIA CHEMIA - Issue no. 3 / 2012  
         
  Article:   A COMPUTATIONAL STUDY OF THE SURFACE PROPERTIES OF THE HUMAN AND BACTERIAL CHITOTRIOSIDASE.

Authors:  .
 
       
         
  Abstract:  

Mapping of physicochemical properties of surfaces of the human, bacterial and fungal chitotriosidases reveals that the three enzymes present distinct local surface properties, suggesting the possibility of specific inhibition of the human chitotriosidase. The results obtained for the volumes of the largest cavity differ qualitatively and quantitatively between the two employed tools (CASTp and Fpocket). Nevertheless, both algorithms concur in indicating that the human, bacterial and fungal chitotriosidase pockets are different.

Keywords: chitotriosidase, fractal surface dimension, surface properties, ligand binding, specific inhibition.

 
         
     
         
         
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