Chemical space expansion of bromodomain ligands guided by in silico virtual couplings (AutoCouple)

Batiste L, Unzue A, Dolbois A, Hassler F, Wang X, Deerain N, Zhu J, Spiliotopoulos D, Nevado C & Caflisch A
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Batiste, L., Unzue, A., Dolbois, A., Hassler, F., Wang, X., Deerain, N., … Caflisch, A. (2018). Chemical space expansion of bromodomain ligands guided by in silico virtual couplings (AutoCouple). ACS Central Science, 4(2), 180-188. https://doi.org/10.1021/acscentsci.7b00401