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Quantum simulations of SARS-CoV-2 main protease M(pro) enable high-quality scoring of diverse ligands

The COVID-19 pandemic has led to unprecedented efforts to identify drugs that can reduce its associated morbidity/mortality rate. Computational chemistry approaches hold the potential for triaging potential candidates far more quickly than their experimental counterparts. These methods have been wid...

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Detalles Bibliográficos
Autores principales:	Wang, Yuhang, Murlidaran, Sruthi, Pearlman, David A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8321885/ https://www.ncbi.nlm.nih.gov/pubmed/34328586 http://dx.doi.org/10.1007/s10822-021-00412-7

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