Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations...

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Detalles Bibliográficos
Autores principales: Mantsyzov, Alexey B, Bouvier, Guillaume, Evrard-Todeschi, Nathalie, Bertho, Gildas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Dove Medical Press 2012
Materias:
Original Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3459543/
https://www.ncbi.nlm.nih.gov/pubmed/23055752
http://dx.doi.org/10.2147/AABC.S30881

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3459543/
https://www.ncbi.nlm.nih.gov/pubmed/23055752
http://dx.doi.org/10.2147/AABC.S30881

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