Multipose Binding in Molecular Docking

Molecular docking has been extensively applied in virtual screening of small molecule libraries for lead identification and optimization. A necessary prerequisite for successful differentiation between active and non-active ligands is the accurate prediction of their binding affinities in the comple...

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Detalles Bibliográficos
Autores principales: Atkovska, Kalina, Samsonov, Sergey A., Paszkowski-Rogacz, Maciej, Pisabarro, M. Teresa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3958872/
https://www.ncbi.nlm.nih.gov/pubmed/24534807
http://dx.doi.org/10.3390/ijms15022622

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3958872/
https://www.ncbi.nlm.nih.gov/pubmed/24534807
http://dx.doi.org/10.3390/ijms15022622

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