posted Apr 12, 2019, 7:43 AM by Gerard JP van Westen
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updated Apr 12, 2019, 10:12 PM
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49 Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling Journal of Chemical Information and Modeling (2019), 11 (15) https://doi.org/10.1186/s13321-019-0337-8 Lindsey Burggraaff, Paul Oranje, Robin Gouka, Pieter van der Pijl, Marian Geldof, Herman W. T. van Vlijmen, Adriaan P. IJzerman, and Gerard J.P. van Westen
| 48 Advances and Challenges in Computational Target Prediction Journal of Chemical Information and Modeling (2019), In press, https://doi.org/10.1021/acs.jcim.8b00832 Dominique Sydow , Lindsey Burggraaff , Angelika Szengel, Herman W. T. van Vlijmen , Adriaan P. IJzerman , Gerard J. P. van Westen , and Andrea Volkamer
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| 47 Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors Bioorganic & Medicinal Chemistry (2019), 27 (5), 692-699, https://doi.org/10.1016/j.bmc.2019.01.006 Sebastian H. Grimm, Berend Gagestein, Jordi F. Keijzer, Nora Liu, Ruud H. Wijdeven, Eelke B. Lenselink, Adriaan W. Tuind, Adrianus M.C.H.van den Nieuwendijk, Gerard J.P.van Westen, Constant A.A.van Boeckel, Herman S. Overkleeft, Jacques Neefjes, Mario van der Stelt
| 46 Activity-Based Protein Profiling Identifies α-Ketoamides as Inhibitors for Phospholipase A2 Group XVI ACS Chemical Biology (2019), In press, https://doi.org/10.1021/acschembio.8b00969 Juan Zhou, Elliot D. Mock, Andrea Martella, Vasudev Kantae, Xinyu Di, Lindsey Burggraaff, Marc P. Baggelaar, Karol Al-Ayed, Alexander Bakker, Bogdan I. Florea, Sebastian H. Grimm, Hans den Dulk, Chun T. Li, Laura Mulder, Herman S. Overkleeft, Thomas Hankemeier, Gerard J. P. van Westen, and Mario van der Stelt
| 45 Novel technologies for metabolomics: More for less TrAC (2018), In press, https://doi.org/10.1016/j.trac.2018.11.021 Paul Miggiels, Bert Wouters, Gerard J.P.van Westen, Anne-Charlotte Dubbelman ,Thomas Hankemeier
| 44 Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes JCIM (2018), In press, https://doi.org/10.1021/acs.jcim.8b00640 Antonius P. A. Janssen, Sebastian H. Grimm, Ruud H. M. Wijdeven, Eelke B. Lenselink, Jacques Neefjes, Constant A. A. van Boeckel, Gerard J. P. van Westen, and Mario van der Stelt
| 43 Linking drug target and pathway activation for effective therapy using multi-task learning Scientific Reports (2018), 8322, https://doi.org/10.1038/s41598-018-25947-y Mi Yang, Jaak Simm, Chi Chung Lam, Pooya Zakeri, Gerard J. P. van Westen, Yves Moreau and Julio Saez-Rodriguez
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