Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors ST Staben, JA Feng, K Lyle, M Belvin, J Boggs, JD Burch, C Chua, H Cui, ... Journal of medicinal chemistry 57 (3), 1033-1045, 2014 | 71 | 2014 |
The crystal structure of the catalytic domain of the NF-κB inducing kinase reveals a narrow but flexible active site G de Leon-Boenig, KK Bowman, JA Feng, T Crawford, C Everett, ... Structure 20 (10), 1704-1714, 2012 | 70 | 2012 |
Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K) GM Castanedo, N Blaquiere, M Beresini, B Bravo, H Brightbill, J Chen, ... Journal of medicinal chemistry 60 (2), 627-640, 2017 | 62 | 2017 |
Conformational manifold of α-aminoisobutyric acid (Aib) containing alanine-based tripeptides in aqueous solution explored by vibrational spectroscopy, electronic circular … R Schweitzer-Stenner, W Gonzales, GT Bourne, JA Feng, GR Marshall Journal of the American Chemical Society 129 (43), 13095-13109, 2007 | 55 | 2007 |
Compounds, compositions and methods AA Estrada, JA Feng, B Fox, CP Leslie, JP Lyssikatos, A Pozzan, ... US Patent 9,815,850, 2017 | 52 | 2017 |
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge AS Rustenburg, J Dancer, B Lin, JA Feng, DF Ortwine, DL Mobley, ... Journal of computer-aided molecular design 30, 945-958, 2016 | 52 | 2016 |
Scaffold-hopping approach to discover potent, selective, and efficacious inhibitors of NF-κB inducing kinase N Blaquiere, GM Castanedo, JD Burch, LM Berezhkovskiy, H Brightbill, ... Journal of Medicinal Chemistry 61 (15), 6801-6813, 2018 | 44 | 2018 |
Optimizing active learning for free energy calculations J Thompson, WP Walters, JA Feng, NA Pabon, H Xu, M Maser, ... Artificial Intelligence in the Life Sciences 2, 100050, 2022 | 35 | 2022 |
6, 5-Heterocyclic propargylic alcohol compounds and uses therefor S Staben, J Feng, PL Loke, CAGN Montalbetti US Patent 8,901,313, 2014 | 33 | 2014 |
Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors MC Bryan, J Drobnick, A Gobbi, A Kolesnikov, Y Chen, N Rajapaksa, ... Journal of Medicinal Chemistry 62 (13), 6223-6240, 2019 | 24 | 2019 |
An integrated suite of modeling tools that empower scientists in structure-and property-based drug design JA Feng, I Aliagas, P Bergeron, JM Blaney, EK Bradley, MFT Koehler, ... Journal of Computer-Aided Molecular Design 29, 511-523, 2015 | 21 | 2015 |
SKATE: a docking program that decouples systematic sampling from scoring JA Feng, GR Marshall Journal of computational chemistry 31 (14), 2540-2554, 2010 | 20 | 2010 |
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery ML Lee, I Aliagas, JA Feng, T Gabriel, TJ O’donnell, BD Sellers, ... Journal of cheminformatics 9, 1-14, 2017 | 19 | 2017 |
A second look at mini-protein stability: Analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations JA Feng, J Kao, GR Marshall Biophysical journal 97 (10), 2803-2810, 2009 | 17 | 2009 |
DEGAS: sharing and tracking target compound ideas with external collaborators ML Lee, I Aliagas, J Dotson, JA Feng, A Gobbi, T Heffron Journal of chemical information and modeling 52 (2), 278-284, 2012 | 15 | 2012 |
Compounds, compositions and methods AA Estrada, JA Feng, B Fox, ZK Sweeney US Patent 9,896,458, 2018 | 14 | 2018 |
Compounds, compositions, and methods AA Estrada, JA Feng, JP Lyssikatos, ZK Sweeney, J de Vicente Fidalgo US Patent 9,932,325, 2018 | 11 | 2018 |
Compounds, compositions, and methods AA Estrada, JA Feng, JP Lyssikatos, ZK Sweeney, J de Vicente Fidalgo US Patent App. 15/624,566, 2017 | 11 | 2017 |
Chimeric protein engineering JA Feng, LA Tessler, GR Marshall International Journal of Peptide Research and Therapeutics 13, 151-160, 2007 | 10 | 2007 |
Compounds, compositions and methods AA Estrada, JA Feng, B Fox, CP Leslie, JP Lyssikatos, A Pozzan, ... US Patent 10,131,676, 2018 | 8 | 2018 |