| Benchmarking sets for molecular docking N Huang, BK Shoichet, JJ Irwin Journal of medicinal chemistry 49 (23), 6789-6801, 2006 | 1459 | 2006 |
| Nuclear m6A reader YTHDC1 regulates mRNA splicing W Xiao, S Adhikari, U Dahal, YS Chen, YJ Hao, BF Sun, HY Sun, A Li, ... Molecular cell 61 (4), 507-519, 2016 | 1269 | 2016 |
| 5-methylcytosine promotes mRNA export—NSUN2 as the methyltransferase and ALYREF as an m5C reader X Yang, Y Yang, BF Sun, YS Chen, JW Xu, WY Lai, A Li, X Wang, ... Cell research 27 (5), 606-625, 2017 | 538 | 2017 |
| Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator VM Anisimov, G Lamoureux, IV Vorobyov, N Huang, B Roux, ... Journal of chemical theory and computation 1 (1), 153-168, 2005 | 315 | 2005 |
| Automated docking screens: a feasibility study JJ Irwin, BK Shoichet, MM Mysinger, N Huang, F Colizzi, P Wassam, ... Journal of medicinal chemistry 52 (18), 5712-5720, 2009 | 277 | 2009 |
| Molecular mechanics methods for predicting protein–ligand binding N Huang, C Kalyanaraman, K Bernacki, MP Jacobson Physical Chemistry Chemical Physics 8 (44), 5166-5177, 2006 | 250 | 2006 |
| Consideration of molecular weight during compound selection in virtual target-based database screening Y Pan, N Huang, S Cho, AD Mackerell Journal of chemical information and computer sciences 43 (1), 267-272, 2003 | 197 | 2003 |
| Physics-based scoring of protein− ligand complexes: Enrichment of known inhibitors in large-scale virtual screening N Huang, C Kalyanaraman, JJ Irwin, MP Jacobson Journal of chemical information and modeling 46 (1), 243-253, 2006 | 187 | 2006 |
| Protein-facilitated base flipping in DNA by cytosine-5-methyltransferase N Huang, NK Banavali, AD MacKerell Jr Proceedings of the National Academy of Sciences 100 (1), 68-73, 2003 | 164 | 2003 |
| Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1 S Peng, W Xiao, D Ju, B Sun, N Hou, Q Liu, Y Wang, H Zhao, C Gao, ... Science Translational Medicine 11 (488), eaau7116, 2019 | 160 | 2019 |
| Exploiting ordered waters in molecular docking N Huang, BK Shoichet Journal of medicinal chemistry 51 (16), 4862-4865, 2008 | 147 | 2008 |
| Molecular determinants of enterovirus 71 viral entry: cleft around GLN-172 on VP1 protein interacts with variable region on scavenge receptor B 2 P Chen, Z Song, Y Qi, X Feng, N Xu, Y Sun, X Wu, X Yao, Q Mao, X Li, ... Journal of Biological Chemistry 287 (9), 6406-6420, 2012 | 143 | 2012 |
| Structural basis for activation and inhibition of the secreted chlamydia protease CPAF Z Huang, Y Feng, D Chen, X Wu, S Huang, X Wang, X Xiao, W Li, ... Cell host & microbe 4 (6), 529-542, 2008 | 98 | 2008 |
| Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY+ 3 binding site N Huang, A Nagarsekar, G Xia, J Hayashi, AD MacKerell Journal of medicinal chemistry 47 (14), 3502-3511, 2004 | 95 | 2004 |
| Ainsliadimer A selectively inhibits IKKα/β by covalently binding a conserved cysteine T Dong, C Li, X Wang, L Dian, X Zhang, L Li, S Chen, R Cao, L Li, ... Nature communications 6 (1), 6522, 2015 | 91 | 2015 |
| Physics-based methods for studying protein-ligand interactions N Huang, MP Jacobson Current Opinion in Drug Discovery and Development 10 (3), 325, 2007 | 86 | 2007 |
| Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants P Han, C Su, Y Zhang, C Bai, A Zheng, C Qiao, Q Wang, S Niu, Q Chen, ... Nature communications 12 (1), 6103, 2021 | 83 | 2021 |
| Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors X Lin, XP Huang, G Chen, R Whaley, S Peng, Y Wang, G Zhang, ... Journal of medicinal chemistry 55 (12), 5749-5759, 2012 | 80 | 2012 |
| A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle Q Yao, J Cui, Y Zhu, G Wang, L Hu, C Long, R Cao, X Liu, N Huang, ... Proceedings of the National Academy of Sciences 106 (10), 3716-3721, 2009 | 78 | 2009 |
| Identification of novel inhibitors of BCR-ABL tyrosine kinase via virtual screening H Peng, N Huang, J Qi, P Xie, C Xu, J Wang, C Yang Bioorganic & medicinal chemistry letters 13 (21), 3693-3699, 2003 | 77 | 2003 |
