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VSpipe, an Integrated Resource for Virtual Screening and Hit Selection: Applications to Protein Tyrosine Phospahatase Inhibition

The use of computational tools for virtual screening provides a cost-efficient approach to select starting points for drug development. We have developed VSpipe, a user-friendly semi-automated pipeline for structure-based virtual screening. VSpipe uses the existing tools AutoDock and OpenBabel toget...

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Detalles Bibliográficos
Autores principales:	Álvarez-Carretero, Sandra, Pavlopoulou, Niki, Adams, James, Gilsenan, Jane, Tabernero, Lydia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017540/ https://www.ncbi.nlm.nih.gov/pubmed/29414924 http://dx.doi.org/10.3390/molecules23020353

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