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Combining Charge Density Analysis with Machine Learning Tools To Investigate the Cruzain Inhibition Mechanism

[Image: see text] Trypanosoma cruzi, a flagellate protozoan parasite, is responsible for Chagas disease. The parasite major cysteine protease, cruzain (Cz), plays a vital role at every stage of its life cycle and the active-site region of the enzyme, similar to those of other members of the papain s...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Luchi, Adriano M., Villafañe, Roxana N., Gómez Chávez, J. Leonardo, Bogado, M. Lucrecia, Angelina, Emilio L., Peruchena, Nelida M.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6881835/
https://ncbi.nlm.nih.gov/pubmed/31788588
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b01934
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