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

Internet

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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