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2019_04_12 Quite a few publications added...

posted Apr 12, 2019, 7:43 AM by Gerard van Westen   [ updated Apr 12, 2019, 10:12 PM ]

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 


 
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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