A Computational Pipeline to Identify and Characterize Binding Sites and Interacting Chemotypes in SARS-CoV‑2

Minimizing the human and economic costs of the COVID-19 pandemic and future pandemics requires the ability to develop and deploy effective treatments for novel pathogens as soon as possible after they emerge. To this end, we introduce a new computational pipeline for the rapid identification and cha...

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Veröffentlicht in:	ACS omega 2023-06, Vol.8 (24), p.21871-21884
Hauptverfasser:	Sandholtz, Sarah H., Drocco, Jeffrey A., Zemla, Adam T., Torres, Marisa W., Silva, Mary S., Allen, Jonathan E.
Format:	Artikel
Sprache:	eng
Schlagworte:	BASIC BIOLOGICAL SCIENCES ligands medical science molecular structure protein identification protein structure SARS-CoV-2
Online-Zugang:	Volltext
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