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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Detalles Bibliográficos
Autores principales: Luchi, Adriano M., Villafañe, Roxana N., Gómez Chávez, J. Leonardo, Bogado, M. Lucrecia, Angelina, Emilio L., Peruchena, Nelida M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6881835/
https://www.ncbi.nlm.nih.gov/pubmed/31788588
http://dx.doi.org/10.1021/acsomega.9b01934

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