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Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agents

A novel virtual screening approach is implemented herein, which is a further improvement of our previously published “target-bound pharmacophore modeling approach”. The generated pharmacophore library is based only on highly contributing amino acid residues, instead of arbitrary pharmacophores, whic...

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Detalles Bibliográficos
Autores principales:	Cele, Favourite N, Ramesh, Muthusamy, Soliman, Mahmoud ES
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Dove Medical Press 2016
Materias:	Original Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4833373/ https://www.ncbi.nlm.nih.gov/pubmed/27114700 http://dx.doi.org/10.2147/DDDT.S95533

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