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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Pubblicato in:Proc Natl Acad Sci U S A
Autori principali: Chevillard, Florent, Stotani, Silvia, Karawajczyk, Anna, Hristeva, Stanimira, Pardon, Els, Steyaert, Jan, Tzalis, Dimitrios, Kolb, Peter
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2019
Soggetti:
Biological Sciences
Accesso online: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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