Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors

[Image: see text] Computer-aided drug discovery methods play a major role in the development of therapeutically important small molecules, but their performance needs to be improved. Molecular dynamics simulations in mixed solvents are useful in understanding protein–ligand recognition and improving...

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Detalles Bibliográficos
Autores principales: Burastero, Osvaldo, Defelipe, Lucas A., Gola, Gabriel, Tateosian, Nancy L., Lopez, Elias D., Martinena, Camila Belen, Arcon, Juan Pablo, Traian, Martín Dodes, Wetzler, Diana E., Bento, Isabel, Barril, Xavier, Ramirez, Javier, Marti, Marcelo A., Garcia-Alai, Maria M., Turjanski, Adrián G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9344462/
https://www.ncbi.nlm.nih.gov/pubmed/35737472
http://dx.doi.org/10.1021/acs.jmedchem.1c02012

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