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2017_03_21 3 new publications added

posted Mar 21, 2017, 9:40 AM by Gerard van Westen
 
36   Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
        Brief Bioinform (2016),  bbw105, doi: https://doi.org/10.1093/bib/bbw105
        Shardul Paricharak, Oscar Méndez-Lucio, Aakash Chavan Ravindranath, Andreas Bender, Adriaan P. IJzerman, and Gerard J. P. van Westen



 
35   Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening
        JCIM (2016), 56, 10, doi: 10.1021/acs.jcim.6b00314
        Eelke B. Lenselink, Willem Jespers, Herman W. T. van Vlijmen, Adriaan P. IJzerman, and Gerard J. P. van Westen


 
34   Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
        JCIM (2016), 56, 9, doi: 10.1021/acs.jcim.6b00122
        Serge Christmann-Franck, Gerard J. P. van Westen, George Papadatos, Fanny Beltran Escudie, Alexander Roberts, John P. Overington, and Daniel Domine

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