Interrogating dense ligand chemical space with a forward-synthetic library

Forward-synthetic databases are an efficient way to enumerate chemical space. We explored here whether these databases are good sources of novel protein ligands and how many molecules are obtainable and in which time frame. Based on docking calculations, series of molecules were selected to gain ins...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Chevillard, Florent, Stotani, Silvia, Karawajczyk, Anna, Hristeva, Stanimira, Pardon, Els, Steyaert, Jan, Tzalis, Dimitrios, Kolb, Peter
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2019
Assuntos:
Biological Sciences
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6561289/
https://ncbi.nlm.nih.gov/pubmed/31113876
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1818718116
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