Discovery of CREBBP bromodomain inhibitors by high-throughput docking and hit optimization guided by molecular dynamics M Xu, A Unzue, J Dong, D Spiliotopoulos, C Nevado, A Caflisch Journal of medicinal chemistry, 2015 | 80 | 2015 |
Fragment-Based Design of Selective Nanomolar Ligands of the CREBBP Bromodomain A Unzue, M Xu, J Dong, L Wiedmer, D Spiliotopoulos, A Caflisch, ... Journal of medicinal chemistry, 2015 | 66 | 2015 |
Combined modification of a TiO 2 photocatalyst with two different carbon forms A Ansón-Casaos, I Tacchini, A Unzue, MT Martínez Applied surface science 270, 675-684, 2013 | 46 | 2013 |
The “gatekeeper” residue influences the binding mode of acetyl indoles to bromodomains A Unzue, H Zhao, G Lolli, J Dong, J Zhu, M Zechner, A Dolbois, A Caflisch, ... Journal of Medicinal Chemistry, 2016 | 43* | 2016 |
Pyrrolo [3, 2-b] quinoxaline derivatives as types i1/2 and ii eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation A Unzue, J Dong, K Lafleur, H Zhao, E Frugier, A Caflisch, C Nevado Journal of medicinal chemistry 57 (15), 6834-6844, 2014 | 37 | 2014 |
Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation A Unzue, K Lafleur, H Zhao, T Zhou, J Dong, P Kolb, J Liebl, S Zahler, ... European journal of medicinal chemistry 112, 347-366, 2016 | 26 | 2016 |
Challenging Targets, Unique Binding Modes: Novel Strategies against Cancer C Nevado, A Caflisch, A Unzúe THE 3 rd ORGANIC CHEMISTRY FRONTIERS INTERNATIONAL SYMPOSIUM, 6, 0 | | |