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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Bibliographic Details
Published in: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
Format: Artigo
Language:Inglês
Published: American Chemical Society 2018
Online Access: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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