Steered molecular dynamics simulations reveal critical residues for (un)binding of substrates, inhibitors and a product to the malarial M1 aminopeptidase

Malaria is a life-threatening disease spread by mosquitoes. Plasmodium falciparum M1 alanyl aminopeptidase (PfM1-AAP) is a promising target for the treatment of malaria. The recently solved crystal structures of PfM1-AAP revealed that the buried active site can be accessed through two channel openin...

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Detalles Bibliográficos
Autores principales: Moore, Daniel S., Brines, Conor, Jewhurst, Heather, Dalton, John P., Tikhonova, Irina G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6239339/
https://www.ncbi.nlm.nih.gov/pubmed/30379805
http://dx.doi.org/10.1371/journal.pcbi.1006525

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6239339/
https://www.ncbi.nlm.nih.gov/pubmed/30379805
http://dx.doi.org/10.1371/journal.pcbi.1006525

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