| EZH2 inhibition as a therapeutic strategy for lymphoma with EZH2-activating mutations MT McCabe, HM Ott, G Ganji, S Korenchuk, C Thompson, GS Van Aller, ... Nature 492 (7427), 108-112, 2012 | 1892 | 2012 |
| Mutation of A677 in histone methyltransferase EZH2 in human B-cell lymphoma promotes hypertrimethylation of histone H3 on lysine 27 (H3K27) MT McCabe, AP Graves, G Ganji, E Diaz, WS Halsey, Y Jiang, ... Proceedings of the National Academy of Sciences 109 (8), 2989-2994, 2012 | 537 | 2012 |
| Identification of potent, selective, cell-active inhibitors of the histone lysine methyltransferase EZH2 SK Verma, X Tian, LV LaFrance, C Duquenne, DP Suarez, KA Newlander, ... ACS medicinal chemistry letters 3 (12), 1091-1096, 2012 | 405 | 2012 |
| Predicting absolute ligand binding free energies to a simple model site DL Mobley, AP Graves, JD Chodera, AC McReynolds, BK Shoichet, ... Journal of molecular biology 371 (4), 1118-1134, 2007 | 336 | 2007 |
| Rescoring docking hit lists for model cavity sites: predictions and experimental testing AP Graves, DM Shivakumar, SE Boyce, MP Jacobson, DA Case, ... Journal of molecular biology 377 (3), 914-934, 2008 | 235 | 2008 |
| Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site SE Boyce, DL Mobley, GJ Rocklin, AP Graves, KA Dill, BK Shoichet Journal of molecular biology 394 (4), 747-763, 2009 | 212 | 2009 |
| Decoys for docking AP Graves, R Brenk, BK Shoichet Journal of medicinal chemistry 48 (11), 3714-3728, 2005 | 147 | 2005 |
| Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia MB Pappalardi, K Keenan, M Cockerill, WA Kellner, A Stowell, C Sherk, ... Nature cancer 2 (10), 1002-1017, 2021 | 118 | 2021 |
| HLA-B*57:01 Confers Susceptibility to Pazopanib-Associated Liver Injury in Patients with Cancer CF Xu, T Johnson, X Wang, C Carpenter, AP Graves, L Warren, Z Xue, ... Clinical Cancer Research 22 (6), 1371-1377, 2016 | 97 | 2016 |
| Inhibition of the cardiomyocyte-specific kinase TNNI3K limits oxidative stress, injury, and adverse remodeling in the ischemic heart RJ Vagnozzi, GJ Gatto Jr, LS Kallander, NE Hoffman, K Mallilankaraman, ... Science translational medicine 5 (207), 207ra141-207ra141, 2013 | 73 | 2013 |
| Discovery of GSK8612, a highly selective and potent TBK1 inhibitor DW Thomson, D Poeckel, N Zinn, C Rau, K Strohmer, AJ Wagner, ... ACS medicinal chemistry letters 10 (5), 780-785, 2019 | 61 | 2019 |
| A687V EZH2 is a driver of histone H3 lysine 27 (H3K27) hypertrimethylation HM Ott, AP Graves, MB Pappalardi, M Huddleston, WS Halsey, ... Molecular cancer therapeutics 13 (12), 3062-3073, 2014 | 57 | 2014 |
| Structure-based design of a novel SMYD3 inhibitor that bridges the SAM-and MEKK2-binding pockets GS Van Aller, AP Graves, PA Elkins, WG Bonnette, PJ McDevitt, ... Structure 24 (5), 774-781, 2016 | 54 | 2016 |
| Identification of purines and 7-deazapurines as potent and selective type I inhibitors of troponin I-interacting kinase (TNNI3K) BG Lawhorn, J Philp, Y Zhao, C Louer, M Hammond, M Cheung, H Fries, ... Journal of medicinal chemistry 58 (18), 7431-7448, 2015 | 45 | 2015 |
| A high-throughput dose-response cellular thermal shift assay for rapid screening of drug target engagement in living cells, exemplified using SMYD3 and IDO1 DE McNulty, WG Bonnette, H Qi, L Wang, TF Ho, A Waszkiewicz, ... SLAS DISCOVERY: Advancing Life Sciences R&D 23 (1), 34-46, 2018 | 44 | 2018 |
| Substituent effects on drug–receptor H-bond interactions: correlations useful for the design of kinase inhibitors BG Lawhorn, J Philp, AP Graves, DA Holt, GJ Gatto Jr, LS Kallander Journal of Medicinal Chemistry 59 (23), 10629-10641, 2016 | 25 | 2016 |
| 4, 6-Diaminopyrimidines as highly preferred troponin I-interacting kinase (TNNI3K) inhibitors J Philp, BG Lawhorn, AP Graves, L Shewchuk, KL Rivera, LJ Jolivette, ... Journal of medicinal chemistry 61 (7), 3076-3088, 2018 | 23 | 2018 |
| Perspectives on the discovery of small-molecule modulators for epigenetic processes Q Lu, AM Quinn, MP Patel, SF Semus, AP Graves, D Bandyopadhyay, ... Journal of biomolecular screening 17 (5), 555-571, 2012 | 19 | 2012 |
| A perspective on water site prediction methods for structure based drug design AP Graves, ID Wall, CM Edge, JM Woolven, G Cui, A Le Gall, X Hong, ... Current topics in medicinal chemistry 17 (23), 2599-2616, 2017 | 16 | 2017 |
| GSK114: A selective inhibitor for elucidating the biological role of TNNI3K BG Lawhorn, J Philp, AP Graves, L Shewchuk, DA Holt, GJ Gatto Jr, ... Bioorganic & Medicinal Chemistry Letters 26 (14), 3355-3358, 2016 | 13 | 2016 |
Ryan G KrugerAnagenexVerified email at anagenex.com
