Llwytho...

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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Mol Liq
Prif Awduron: Alharthi, Fahad A., Al-Zaqri, Nabil, Alsalme, Ali, Al-Taleb, Afnan, Pooventhiran, T., Thomas, Renjith, Rao, D. Jagadeeswara
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Elsevier B.V. 2021
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC7765765/
https://ncbi.nlm.nih.gov/pubmed/33390634
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molliq.2020.115134
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