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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Publicat a:ACS Cent Sci
Autors principals: Batiste, Laurent, Unzue, Andrea, Dolbois, Aymeric, Hassler, Fabrice, Wang, Xuan, Deerain, Nicholas, Zhu, Jian, Spiliotopoulos, Dimitrios, Nevado, Cristina, Caflisch, Amedeo
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2018
Accés en línia: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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