2019_04_12 Quite a few publications added...

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