| Selective small-molecule inhibitor reveals critical mitotic functions of human CDK1 LT Vassilev, C Tovar, S Chen, D Knezevic, X Zhao, H Sun, DC Heimbrook, ... Proceedings of the National Academy of Sciences 103 (28), 10660-10665, 2006 | 794 | 2006 |
| Classification of scaffold-hopping approaches H Sun, G Tawa, A Wallqvist Drug discovery today 17 (7-8), 310-324, 2012 | 356 | 2012 |
| Smiles-bert: large scale unsupervised pre-training for molecular property prediction S Wang, Y Guo, Y Wang, H Sun, J Huang Proceedings of the 10th ACM international conference on bioinformatics …, 2019 | 300 | 2019 |
| Development of quantitative structure− property relationship models for early ADME evaluation in drug discovery. 2. Blood-brain barrier penetration R Liu, H Sun, SS So Journal of chemical information and computer sciences 41 (6), 1623-1632, 2001 | 264 | 2001 |
| A selective USP1–UAF1 inhibitor links deubiquitination to DNA damage responses Q Liang, TS Dexheimer, P Zhang, AS Rosenthal, MA Villamil, C You, ... Nature chemical biology 10 (4), 298-304, 2014 | 236 | 2014 |
| Pharmacophore-based virtual screening H Sun Current medicinal chemistry 15 (10), 1018-1024, 2008 | 223 | 2008 |
| A universal molecular descriptor system for prediction of logP, logS, logBB, and absorption H Sun Journal of chemical information and computer sciences 44 (2), 748-757, 2004 | 171 | 2004 |
| Genomic and protein expression analysis reveals flap endonuclease 1 (FEN1) as a key biomarker in breast and ovarian cancer TMA Abdel-Fatah, R Russell, N Albarakati, DJ Maloney, D Dorjsuren, ... Molecular oncology 8 (7), 1326-1338, 2014 | 128 | 2014 |
| Disrupting malaria parasite AMA1–RON2 interaction with a small molecule prevents erythrocyte invasion P Srinivasan, A Yasgar, DK Luci, WL Beatty, X Hu, J Andersen, DL Narum, ... Nature communications 4 (1), 2261, 2013 | 118 | 2013 |
| High-throughput matrix screening identifies synergistic and antagonistic antimalarial drug combinations BT Mott, RT Eastman, R Guha, KS Sherlach, A Siriwardana, P Shinn, ... Scientific reports 5 (1), 13891, 2015 | 113 | 2015 |
| An accurate and interpretable Bayesian classification model for prediction of hERG liability H Sun ChemMedChem: Chemistry Enabling Drug Discovery 1 (3), 315-322, 2006 | 96 | 2006 |
| A naive Bayes classifier for prediction of multidrug resistance reversal activity on the basis of atom typing H Sun Journal of Medicinal Chemistry 48 (12), 4031-4039, 2005 | 91 | 2005 |
| Exploring polypharmacology using a ROCS-based target fishing approach MDM AbdulHameed, S Chaudhury, N Singh, H Sun, A Wallqvist, GJ Tawa Journal of chemical information and modeling 52 (2), 492-505, 2012 | 90 | 2012 |
| Paradigm shift in toxicity testing and modeling H Sun, M Xia, CP Austin, R Huang The AAPS journal 14, 473-480, 2012 | 85 | 2012 |
| Highly predictive and interpretable models for PAMPA permeability H Sun, K Nguyen, E Kerns, Z Yan, KR Yu, P Shah, A Jadhav, X Xu Bioorganic & medicinal chemistry 25 (3), 1266-1276, 2017 | 79 | 2017 |
| Structure to 1.9 Å resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding … MS Bennett, F Wien, JN Champness, T Batuwangala, T Rutherford, ... FEBS letters 443 (2), 121-125, 1999 | 79 | 1999 |
| Predictive models for cytochrome P450 isozymes based on quantitative high throughput screening data H Sun, H Veith, M Xia, CP Austin, R Huang Journal of chemical information and modeling 51 (10), 2474-2481, 2011 | 76 | 2011 |
| Opportunities and challenges of developing peptide drugs in the pharmaceutical industry W Danho, J Swistok, W Khan, XJ Chu, A Cheung, D Fry, H Sun, G Kurylko, ... Peptides for Youth: The Proceedings of the 20th American Peptide Symposium …, 2009 | 61 | 2009 |
| Discovery of NCT-501, a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1) SM Yang, A Yasgar, B Miller, M Lal-Nag, K Brimacombe, X Hu, H Sun, ... Journal of medicinal chemistry 58 (15), 5967-5978, 2015 | 60 | 2015 |
| Synthesis and Structure–Activity Relationship Studies of N-Benzyl-2-phenylpyrimidin-4-amine Derivatives as Potent USP1/UAF1 Deubiquitinase Inhibitors with … TS Dexheimer, AS Rosenthal, DK Luci, Q Liang, MA Villamil, J Chen, ... Journal of medicinal chemistry 57 (19), 8099-8110, 2014 | 60 | 2014 |
