Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens

[Image: see text] Most libraries for fragment-based drug discovery are restricted to 1,000–10,000 compounds, but over 500,000 fragments are commercially available and potentially accessible by virtual screening. Whether this larger set would increase chemotype coverage, and whether a computational s...

Descripción completa

Detalles Bibliográficos
Autores principales: Barelier, Sarah, Eidam, Oliv, Fish, Inbar, Hollander, Johan, Figaroa, Francis, Nachane, Ruta, Irwin, John J., Shoichet, Brian K., Siegal, Gregg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4215856/
https://www.ncbi.nlm.nih.gov/pubmed/24807704
http://dx.doi.org/10.1021/cb5001636

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4215856/
https://www.ncbi.nlm.nih.gov/pubmed/24807704
http://dx.doi.org/10.1021/cb5001636

Ejemplares similares