Cargando…
Decoys Selection in Benchmarking Datasets: Overview and Perspectives
Virtual Screening (VS) is designed to prospectively help identifying potential hits, i.e., compounds capable of interacting with a given target and potentially modulate its activity, out of large compound collections. Among the variety of methodologies, it is crucial to select the protocol that is t...
Autores principales: | Réau, Manon, Langenfeld, Florent, Zagury, Jean-François, Lagarde, Nathalie, Montes, Matthieu |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5787549/ https://www.ncbi.nlm.nih.gov/pubmed/29416509 http://dx.doi.org/10.3389/fphar.2018.00011 |
Ejemplares similares
-
Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds
por: Réau, Manon, et al.
Publicado: (2019) -
Review of in silico studies dedicated to the nuclear receptor family: Therapeutic prospects and toxicological concerns
por: Sellami, Asma, et al.
Publicado: (2022) -
Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores
por: Lagarde, Nathalie, et al.
Publicado: (2016) -
Directory of Useful Decoys,
Enhanced (DUD-E): Better
Ligands and Decoys for Better Benchmarking
por: Mysinger, Michael M., et al.
Publicado: (2012) -
Comparative evaluation of shape retrieval methods on macromolecular surfaces: an application of computer vision methods in structural bioinformatics
por: Machat, Mohamed, et al.
Publicado: (2021)