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Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple)

[Image: see text] Expanding the chemical space and simultaneously ensuring synthetic accessibility is of upmost importance, not only for the discovery of effective binders for novel protein classes but, more importantly, for the development of compounds against hard-to-drug proteins. Here, we presen...

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Detalhes bibliográficos
Publicado no:ACS Cent Sci
Main Authors: Batiste, Laurent, Unzue, Andrea, Dolbois, Aymeric, Hassler, Fabrice, Wang, Xuan, Deerain, Nicholas, Zhu, Jian, Spiliotopoulos, Dimitrios, Nevado, Cristina, Caflisch, Amedeo
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5833004/
https://ncbi.nlm.nih.gov/pubmed/29532017
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.7b00401
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