Ligand-based virtual screening interface between PyMOL and LiSiCA

Ligand-based virtual screening of large small-molecule databases is an important step in the early stages of drug development. It is based on the similarity principle and is used to reduce the chemical space of large databases to a manageable size where chosen ligands can be experimentally tested. L...

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Detalles Bibliográficos
Autores principales: Dilip, Athira, Lešnik, Samo, Štular, Tanja, Janežič, Dušanka, Konc, Janez
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013575/
https://www.ncbi.nlm.nih.gov/pubmed/27606012
http://dx.doi.org/10.1186/s13321-016-0157-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013575/
https://www.ncbi.nlm.nih.gov/pubmed/27606012
http://dx.doi.org/10.1186/s13321-016-0157-z

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