In silico modeling and structural analysis of asparaginyl endopeptidase of schistosoma mansoni (Sm32): Immunological and drug target implications

[Display omitted] •The structure of the proenzyme form of Sm32 was determined by means of homology modeling and MD refinement.•The charge distribution in the core and LSAM domains in Sm32 is different when compared to the AEs of mouse and human.•The His151 of the catalytic dyad shows a hydrogen bond...

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Bibliographic Details
Published in:Computational biology and chemistry Vol. 78; pp. 18 - 27
Main Authors: Lorenzo, María Angelita, Gauna, Adriana Natalia, Herrera, Jholeisa, Bermúdez, Henry, Losada, Sandra, Noya, Oscar, Serrano, Maria Luisa
Format: Journal Article
Language:English
Published: England Elsevier Ltd 01-02-2019
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