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Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study

A micro-molecule of dimension 125 nm has caused around 479 million human infections (80 M for the USA) and 6.1 million human deaths (977,000 for the USA) worldwide and slashed the global economy by US$ 8.5 Trillion over two years period. The only other events in recent history that caused comparativ...

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Detalles Bibliográficos
Autores principales:	Kashyap, Jatin, Datta, Dibakar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer US 2022
Materias:	Computational Materials Design
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9045684/ https://www.ncbi.nlm.nih.gov/pubmed/35502407 http://dx.doi.org/10.1007/s10853-022-07195-8

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