Data analysis of molecular dynamics simulation trajectories of β-sitosterol, sonidegib and cholesterol in smoothened protein with the CHARMM36 force field

Inactivation of smoothened protein (SMO) by the antagonists in SHH-driven cancer types is essential for inhibition of cancer progression. This article presents molecular dynamics (MD) trajectories of water solution of three protein-ligand complexes smoothened-β-sitosterol (SMO-BST), smoothened-sonid...

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Detalles Bibliográficos
Autor principal: Che Omar, Mohammad Tasyriq
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7554031/
https://www.ncbi.nlm.nih.gov/pubmed/33083505
http://dx.doi.org/10.1016/j.dib.2020.106350

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7554031/
https://www.ncbi.nlm.nih.gov/pubmed/33083505
http://dx.doi.org/10.1016/j.dib.2020.106350

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