Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in Ripretinib by first-principle simulations

Ripretinib is a recently developed drug for the treatment of adults with advanced gastrointestinal stromal tumors. This paper reports an attempt to study this molecule by electronic modeling and molecular mechanics to determine its composition and other specific chemical features via the density-fun...

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Detalles Bibliográficos
Autores principales: Alharthi, Fahad A., Al-Zaqri, Nabil, Alsalme, Ali, Al-Taleb, Afnan, Pooventhiran, T., Thomas, Renjith, Rao, D. Jagadeeswara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7765765/
https://www.ncbi.nlm.nih.gov/pubmed/33390634
http://dx.doi.org/10.1016/j.molliq.2020.115134

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7765765/
https://www.ncbi.nlm.nih.gov/pubmed/33390634
http://dx.doi.org/10.1016/j.molliq.2020.115134

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