Validation of molecular docking programs for virtual screening against dihydropteroate synthase KE Hevener, W Zhao, DM Ball, K Babaoglu, J Qi, SW White, RE Lee Journal of chemical information and modeling 49 (2), 444-460, 2009 | 547 | 2009 |
Hit identification and optimization in virtual screening: Practical recommendations based on a critical literature analysis: Miniperspective T Zhu, S Cao, PC Su, R Patel, D Shah, HB Chokshi, R Szukala, ... Journal of medicinal chemistry 56 (17), 6560-6572, 2013 | 315 | 2013 |
Recent developments in topoisomerase-targeted cancer chemotherapy KE Hevener, TA Verstak, KE Lutat, DL Riggsbee, JW Mooney Acta pharmaceutica sinica B 8 (6), 844-861, 2018 | 220 | 2018 |
A statistical framework to evaluate virtual screening W Zhao, KE Hevener, SW White, RE Lee, JM Boyett BMC bioinformatics 10, 1-13, 2009 | 121 | 2009 |
Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents RP Tangallapally, R Yendapally, RE Lee, K Hevener, VC Jones, ... Journal of medicinal chemistry 47 (21), 5276-5283, 2004 | 117 | 2004 |
Comparison of radii sets, entropy, QM methods, and sampling on MM‐PBSA, MM‐GBSA, and QM/MM‐GBSA ligand binding energies of F. tularensis enoyl‐ACP … PC Su, CC Tsai, S Mehboob, KE Hevener, ME Johnson Journal of computational chemistry 36 (25), 1859-1873, 2015 | 114 | 2015 |
Structure–activity relationships and enzyme inhibition of pantothenamide-type pantothenate kinase inhibitors KG Virga, YM Zhang, R Leonardi, RA Ivey, K Hevener, HW Park, ... Bioorganic & medicinal chemistry 14 (4), 1007-1020, 2006 | 98 | 2006 |
Structural studies of pterin-based inhibitors of dihydropteroate synthase KE Hevener, MK Yun, J Qi, ID Kerr, K Babaoglu, JG Hurdle, K Balakrishna, ... Journal of medicinal chemistry 53 (1), 166-177, 2010 | 97 | 2010 |
The structure of the pantothenate kinase· ADP· pantothenate ternary complex reveals the relationship between the binding sites for substrate, allosteric regulator, and … RA Ivey, YM Zhang, KG Virga, K Hevener, RE Lee, CO Rock, S Jackowski, ... Journal of Biological Chemistry 279 (34), 35622-35629, 2004 | 84 | 2004 |
Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching KE Hevener, S Mehboob, PC Su, K Truong, T Boci, J Deng, M Ghassemi, ... Journal of medicinal chemistry 55 (1), 268-279, 2012 | 76 | 2012 |
Quantitative structure–activity relationship studies on nitrofuranyl anti-tubercular agents KE Hevener, DM Ball, JK Buolamwini, RE Lee Bioorganic & medicinal chemistry 16 (17), 8042-8053, 2008 | 58 | 2008 |
Constitutive expression of the cryptic vanGCd operon promotes vancomycin resistance in Clostridioides difficile clinical isolates WJ Shen, A Deshpande, KE Hevener, BT Endres, KW Garey, KL Palmer, ... Journal of Antimicrobial Chemotherapy 75 (4), 859-867, 2020 | 55 | 2020 |
Hit-to-Lead: hit validation and assessment KE Hevener, R Pesavento, JH Ren, H Lee, K Ratia, ME Johnson Methods in Enzymology 610, 265-309, 2018 | 44 | 2018 |
The Fatty Acid Synthesis Protein Enoyl-ACP Reductase II (FabK) is a Target for Narrow-Spectrum Antibacterials for Clostridium difficile Infection RKR Marreddy, X Wu, M Sapkota, AM Prior, JA Jones, D Sun, ... ACS infectious diseases 5 (2), 208-217, 2018 | 34 | 2018 |
Fragment-based drug discovery using a multidomain, parallel MD-MM/PBSA screening protocol T Zhu, H Lee, H Lei, C Jones, K Patel, ME Johnson, KE Hevener Journal of chemical information and modeling 53 (3), 560-572, 2013 | 29 | 2013 |
Structural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) Inhibitors S Mehboob, KE Hevener, K Truong, T Boci, BD Santarsiero, ME Johnson Journal of medicinal chemistry 55 (12), 5933-5941, 2012 | 29 | 2012 |
Second-generation antidiabetic sulfonylureas inhibit Candida albicans and Candidalysin-mediated activation of the NLRP3 inflammasome DJ Lowes, KE Hevener, BM Peters Antimicrobial Agents and Chemotherapy 64 (2), 10.1128/aac. 01777-19, 2020 | 28 | 2020 |
Rifamycin resistance in Clostridium difficile is generally associated with a low fitness burden UT Dang, I Zamora, KE Hevener, S Adhikari, X Wu, JG Hurdle Antimicrobial Agents and Chemotherapy 60 (9), 5604-5607, 2016 | 28 | 2016 |
Pharmacophore modeling, synthesis, and antibacterial evaluation of chalcones and derivatives M Zhang, AM Prior, MM Maddox, WJ Shen, KE Hevener, DF Bruhn, ... ACS omega 3 (12), 18343-18360, 2018 | 27 | 2018 |
High-throughput screening (HTS) and hit validation to identify small molecule inhibitors with activity against NS3/4A proteases from multiple hepatitis C virus genotypes H Lee, T Zhu, K Patel, YY Zhang, L Truong, KE Hevener, JL Gatuz, ... PLoS One 8 (10), e75144, 2013 | 26 | 2013 |