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Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges

Structure-based virtual screening (VS) is a widely used approach that employs the knowledge of the three-dimensional structure of the target of interest in the design of new lead compounds from large-scale molecular docking experiments. Through the prediction of the binding mode and affinity of a sm...

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Detalles Bibliográficos
Autores principales:	Guedes, Isabella A., Pereira, Felipe S. S., Dardenne, Laurent E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Pharmacology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6165880/ https://www.ncbi.nlm.nih.gov/pubmed/30319422 http://dx.doi.org/10.3389/fphar.2018.01089

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