| Structure-based maximal affinity model predicts small-molecule druggability AC Cheng, RG Coleman, KT Smyth, Q Cao, P Soulard, DR Caffrey, ... Nature biotechnology 25 (1), 71-75, 2007 | 788 | 2007 |
| AMG 176, a selective MCL1 inhibitor, is effective in hematologic cancer models alone and in combination with established therapies S Caenepeel, SP Brown, B Belmontes, G Moody, KS Keegan, D Chui, ... Cancer discovery 8 (12), 1582-1597, 2018 | 399 | 2018 |
| Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains AC Cheng, WW Chen, CN Fuhrmann, AD Frankel Journal of molecular biology 327 (4), 781-796, 2003 | 168 | 2003 |
| Improvement in ADMET prediction with multitask deep featurization EN Feinberg, E Joshi, VS Pande, AC Cheng Journal of medicinal chemistry 63 (16), 8835-8848, 2020 | 166 | 2020 |
| Structure of the Catalytic Domain of Human Polo-like Kinase 1, M Kothe, D Kohls, S Low, R Coli, AC Cheng, SL Jacques, TL Johnson, ... Biochemistry 46 (20), 5960-5971, 2007 | 147 | 2007 |
| Fragment Based Drug Discovery: Practical Implementation Based on 19F NMR Spectroscopy JB Jordan, L Poppe, X Xia, AC Cheng, Y Sun, K Michelsen, H Eastwood, ... Journal of medicinal chemistry 55 (2), 678-687, 2012 | 100 | 2012 |
| Design of RNA-binding proteins and ligands AC Cheng, V Calabro, AD Frankel Current Opinion in Structural Biology 11 (4), 478-484, 2001 | 99 | 2001 |
| Structure guided design of a series of sphingosine kinase (SphK) inhibitors DJ Gustin, Y Li, ML Brown, X Min, MJ Schmitt, M Wanska, X Wang, ... Bioorganic & medicinal chemistry letters 23 (16), 4608-4616, 2013 | 98 | 2013 |
| Identification of Allosteric PIF‐Pocket Ligands for PDK1 using NMR‐Based Fragment Screening and 1H‐15N TROSY Experiments BJ Stockman, M Kothe, D Kohls, L Weibley, BJ Connolly, AL Sheils, ... Chemical biology & drug design 73 (2), 179-188, 2009 | 71 | 2009 |
| Structure-and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer’s disease H Huang, DS La, AC Cheng, DA Whittington, VF Patel, K Chen, ... Journal of medicinal chemistry 55 (21), 9156-9169, 2012 | 70 | 2012 |
| Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: Alleviating hERG interactions through structure based design SD Patel, WM Habeski, AC Cheng, E de la Cruz, C Loh, NM Kablaoui Bioorganic & medicinal chemistry letters 19 (12), 3339-3343, 2009 | 67 | 2009 |
| Ab initio interaction energies of hydrogen-bonded amino acid side chain− nucleic acid base interactions AC Cheng, AD Frankel Journal of the American Chemical Society 126 (2), 434-435, 2004 | 66 | 2004 |
| Nitrogen-containing heterocyclyl ketones and methods of use BK Albrecht, S Bellon, S Booker, AC Cheng, D D'amico, N D'angelo, ... US Patent 8,314,087, 2012 | 65 | 2012 |
| Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase VJ Cee, AC Cheng, K Romero, S Bellon, C Mohr, DA Whittington, A Bak, ... Bioorganic & medicinal chemistry letters 19 (2), 424-427, 2009 | 64 | 2009 |
| Collaborating to improve the use of free-energy and other quantitative methods in drug discovery B Sherborne, V Shanmugasundaram, AC Cheng, CD Christ, ... Journal of computer-aided molecular design 30, 1139-1141, 2016 | 61 | 2016 |
| Inhibitors of β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5′H-spiro[chromeno[2 … TA Dineen, K Chen, AC Cheng, K Derakhchan, O Epstein, J Esmay, ... Journal of medicinal chemistry 57 (23), 9811-9831, 2014 | 58 | 2014 |
| Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use R White, A Amegadzie, MC Bryan, JJ Chen, AC Cheng, T Dineen, ... US Patent 8,426,447, 2013 | 58 | 2013 |
| Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index AC Cheng, J Eksterowicz, S Geuns-Meyer, Y Sun Journal of medicinal chemistry 53 (11), 4502-4510, 2010 | 58 | 2010 |
| Deep learning approaches in predicting ADMET properties EL Cáceres, M Tudor, AC Cheng Future Medicinal Chemistry 12 (22), 1995-1999, 2020 | 57 | 2020 |
| Discovery of potent and highly selective thienopyridine Janus kinase 2 inhibitors LB Schenkel, X Huang, A Cheng, HL Deak, E Doherty, R Emkey, Y Gu, ... Journal of medicinal chemistry 54 (24), 8440-8450, 2011 | 55 | 2011 |
