| The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models A Kotschy, Z Szlavik, J Murray, J Davidson, AL Maragno, ... Nature 538 (7626), 477-482, 2016 | 1015 | 2016 |
| An ultra-weak chemiluminescence study on oxidative stress in rabbits following acute thermal injury JS Sun, YH Tsuang, IJ Chen, WC Huang, YS Hang, FJ Lu Burns 24 (3), 225-231, 1998 | 220 | 1998 |
| Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst IJ Chen, N Foloppe Journal of chemical information and modeling 50 (5), 822-839, 2010 | 179 | 2010 |
| Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds N Baurin, R Baker, C Richardson, I Chen, N Foloppe, A Potter, A Jordan, ... Journal of chemical information and computer sciences 44 (2), 643-651, 2004 | 176 | 2004 |
| Lessons for fragment library design: analysis of output from multiple screening campaigns IJ Chen, RE Hubbard Journal of computer-aided molecular design 23 (8), 603-620, 2009 | 151 | 2009 |
| Identification and characterization of small molecule inhibitors of the calcium-dependent S100B− p53 tumor suppressor interaction J Markowitz, I Chen, R Gitti, DM Baldisseri, Y Pan, R Udan, F Carrier, ... Journal of medicinal chemistry 47 (21), 5085-5093, 2004 | 128 | 2004 |
| Conformational sampling of druglike molecules with MOE and catalyst: implications for pharmacophore modeling and virtual screening IJ Chen, N Foloppe Journal of chemical information and modeling 48 (9), 1773-1791, 2008 | 117 | 2008 |
| Combined ab initio/empirical approach for optimization of Lennard‐Jones parameters for polar‐neutral compounds IJ Chen, D Yin, AD MacKerell Jr Journal of computational chemistry 23 (2), 199-213, 2002 | 114 | 2002 |
| The SeeDs approach: integrating fragments into drug discovery RE Hubbard, B Davis, I Chen, MJ Drysdale Current Topics in Medicinal Chemistry 7 (16), 1568-1581, 2007 | 107 | 2007 |
| Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery IJ Chen, N Foloppe Bioorganic & medicinal chemistry 21 (24), 7898-7920, 2013 | 102 | 2013 |
| S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth P Casara, J Davidson, A Claperon, G Le Toumelin-Braizat, M Vogler, ... Oncotarget 9 (28), 20075, 2018 | 99 | 2018 |
| Informatics and modeling challenges in fragment-based drug discovery. RE Hubbard, I Chen, B Davis Current opinion in drug discovery & development 10 (3), 289-297, 2007 | 91 | 2007 |
| Conformational sampling and energetics of drug-like molecules N Foloppe, IJ Chen Current medicinal chemistry 16 (26), 3381-3413, 2009 | 79 | 2009 |
| Identification of HIV-1 integrase inhibitors via three-dimensional database searching using ASV and HIV-1 integrases as targets IJ Chen, N Neamati, MC Nicklaus, A Orr, L Anderson, JJ Barchi Jr, ... Bioorganic & medicinal chemistry 8 (10), 2385-2398, 2000 | 74 | 2000 |
| A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site N Foloppe, IJ Chen, B Davis, A Hold, D Morley, R Howes Bioorganic & medicinal chemistry 12 (5), 935-947, 2004 | 69 | 2004 |
| Computation of the influence of chemical substitution on the pK a of pyridine using semiempirical and ab initio methods IJ Chen, AD MacKerell Jr Theoretical Chemistry Accounts 103 (6), 483-494, 2000 | 65 | 2000 |
| Discovery of S64315, a potent and selective Mcl-1 inhibitor Z Szlavik, M Csekei, A Paczal, ZB Szabo, S Sipos, G Radics, ... Journal of Medicinal Chemistry 63 (22), 13762-13795, 2020 | 63 | 2020 |
| Structure-based inhibitor design targeting HIV-1 integrase IJ Chen, N Neamati, AD MacKerell Jr Current Drug Targets-Infectious Disorders 2 (3), 217-234, 2002 | 61 | 2002 |
| Structure-guided discovery of a selective Mcl-1 inhibitor with cellular activity Z Szlávik, L Ondi, M Csékei, A Paczal, ZB Szabó, G Radics, J Murray, ... Journal of Medicinal Chemistry 62 (15), 6913-6924, 2019 | 57 | 2019 |
| Establishing drug discovery and identification of hit series for the anti-apoptotic proteins, Bcl-2 and Mcl-1 JB Murray, J Davidson, I Chen, B Davis, P Dokurno, CJ Graham, R Harris, ... ACS omega 4 (5), 8892-8906, 2019 | 48 | 2019 |
