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Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations

Pharmacophore models are widely used for the identification of promising primary hits in compound large libraries. Recent studies have demonstrated that pharmacophores retrieved from protein-ligand molecular dynamic trajectories outperform pharmacophores retrieved from a single crystal complex struc...

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Detalles Bibliográficos
Autores principales:	Polishchuk, Pavel, Kutlushina, Alina, Bashirova, Dayana, Mokshyna, Olena, Madzhidov, Timur
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6929024/ https://www.ncbi.nlm.nih.gov/pubmed/31757043 http://dx.doi.org/10.3390/ijms20235834

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