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Matriz de resultados del acoplamiento molecular en VP4 de RVA

Name: Matriz de resultados del acoplamiento molecular en VP4 de RVA
Keywords: Cribado virtual, VP4, Rotavirus A, Acoplamiento molecular

Research datakeyboard_double_arrow_right Dataset 30 Dec 2022Publisher:Zenodo

Authors: Schroder, Melanie Jesarela; Miño, Samuel Orlando; Traglia, Germán Matías;

doi: 10.5281/zenodo.7493497 , 10.5281/zenodo.7493496

Matriz de resultados del acoplamiento molecular en VP4 de RVA

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Abstract

Se presentan las energías de unión en kcal/mol obtenidas como resultado del acoplamiento molecular entre los compuestos del subconjunto de ZINC aprobado por FDA y los P-tipos P[4], P[6] y P[8] de RVA como receptores. El acoplamiento molecular se realizó en el programa AutoDock Vina en el marco de la búsqueda de candidatos a antivirales contra VP4 de RVA mediante cribado virtual.

Keywords

Cribado virtual, VP4, Rotavirus A, Acoplamiento molecular

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