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Random acceleration and steered molecular dynamics simulations reveal the (un)binding tunnels in adenosine deaminase and critical residues in tunnels

Adenosine deaminase (ADA) is an important enzyme related to purine nucleoside metabolism in human serum and various tissues. Abnormal ADA levels are related to a wide variety of diseases such as rheumatoid arthritis, AIDS, anemia, lymphoma, and leukemia and ADA is considered as a useful target for v...

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Detalles Bibliográficos
Autores principales: Pan, Yue, Qi, Renrui, Li, Minghao, Wang, Bingda, Huang, Honglan, Han, Weiwei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058408/
https://www.ncbi.nlm.nih.gov/pubmed/35517169
http://dx.doi.org/10.1039/d0ra07796h