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Virtual ligand screening: strategies, perspectives and limitations

In contrast to high-throughput screening, in virtual ligand screening (VS), compounds are selected using computer programs to predict their binding to a target receptor. A key prerequisite is knowledge about the spatial and energetic criteria responsible for protein–ligand binding. The concepts and...

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Detalles Bibliográficos
Autor principal: Klebe, Gerhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2006
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7108249/
https://www.ncbi.nlm.nih.gov/pubmed/16793526
http://dx.doi.org/10.1016/j.drudis.2006.05.012