| The use of spirocyclic scaffolds in drug discovery Y Zheng, CM Tice, SB Singh Bioorganic & Medicinal Chemistry Letters 24 (16), 3673-3682, 2014 | 905 | 2014 |
| The utilization of spirocyclic scaffolds in novel drug discovery YJ Zheng, CM Tice Expert opinion on drug discovery 11 (9), 831-834, 2016 | 237 | 2016 |
| Structure-based design of β-site APP cleaving enzyme 1 (BACE1) inhibitors for the treatment of Alzheimer’s disease J Yuan, S Venkatraman, Y Zheng, BM McKeever, LW Dillard, SB Singh Journal of medicinal chemistry 56 (11), 4156-4180, 2013 | 153 | 2013 |
| A theoretical study of the structures of flavin in different oxidation and protonation states YJ Zheng, RL Ornstein Journal of the American Chemical Society 118 (39), 9402-9408, 1996 | 152 | 1996 |
| A force field for monosaccharides and (1→ 4) linked polysaccharides TM Glennon, YJ Zheng, SM Le Grand, BA Shutzberg, KM Merz Jr Journal of computational chemistry 15 (9), 1019-1040, 1994 | 152 | 1994 |
| Study of hydrogen bonding interactions relevant to biomolecular structure and function YJ Zheng, KM Merz Jr Journal of computational chemistry 13 (9), 1151-1169, 1992 | 138 | 1992 |
| Mechanism of the human carbonic anhydrase II-catalyzed hydration of carbon dioxide YJ Zheng, KM Merz Jr Journal of the American Chemical Society 114 (26), 10498-10507, 1992 | 131 | 1992 |
| A molecular dynamics and quantum mechanics analysis of the effect of DMSO on enzyme structure and dynamics: subtilisin YJ Zheng, RL Ornstein Journal of the American Chemical Society 118 (17), 4175-4180, 1996 | 128 | 1996 |
| A Theoretical Examination of the Factors Controlling the Catalytic Efficiency of a Transmethylation Enzyme: Catechol O-Methyltransferase YJ Zheng, TC Bruice Journal of the American Chemical Society 119 (35), 8137-8145, 1997 | 106 | 1997 |
| Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation YJ Zheng, Z Xia, Z Chen, FS Mathews, TC Bruice Proceedings of the National Academy of Sciences 98 (2), 432-434, 2001 | 98 | 2001 |
| Conformation of coenzyme pyrroloquinoline quinone and role of Ca2+ in the catalytic mechanism of quinoprotein methanol dehydrogenase YJ Zheng, TC Bruice Proceedings of the National Academy of Sciences 94 (22), 11881-11886, 1997 | 91 | 1997 |
| What happens to salt-bridges in nonaqueous environments: insights from quantum mechanics calculations YJ Zheng, RL Ornstein Journal of the American Chemical Society 118 (45), 11237-11243, 1996 | 78 | 1996 |
| Non-enzymatic and enzymatic hydrolysis of alkyl halides: A haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 … FC Lightstone, YJ Zheng, AH Maulitz, TC Bruice Proceedings of the National Academy of Sciences 94 (16), 8417-8420, 1997 | 74 | 1997 |
| A novel class of inhibitors of peptide deformylase discovered through high-throughput screening and virtual ligand screening MH Howard, T Cenizal, S Gutteridge, WS Hanna, Y Tao, M Totrov, ... Journal of medicinal chemistry 47 (27), 6669-6672, 2004 | 73 | 2004 |
| Molecular dynamics simulations of ground and transition states for the Sn2 displacement of Cl-from 1, 2-dichloroethane at the active site of Xanthobacter autotrophicus … FC Lightstone, YJ Zheng, TC Bruice Journal of the American Chemical Society 120 (23), 5611-5621, 1998 | 70 | 1998 |
| Mechanism of nucleophilic aromatic substitution of 1-chloro-2, 4-dinitrobenzene by glutathione in the gas phase and in solution. Implications for the mode of action of … YJ Zheng, RL Ornstein Journal of the American Chemical Society 119 (4), 648-655, 1997 | 61 | 1997 |
| Conformational control in structure-based drug design Y Zheng, CM Tice, SB Singh Bioorganic & Medicinal Chemistry Letters 27 (13), 2825-2837, 2017 | 53 | 2017 |
| Inhibitors of beta-secretase LW Dillard, N Heine, Z Wu, Z Xu, K Leftheris, L Jia, A Morales-Ramos, ... | 43 | 2013 |
| Theoretical Investigation of the Hydride Transfer from Formate to NAD+ and the Implications for the Catalytic Mechanism of Formate Dehydrogenase B Schiøtt, YJ Zheng, TC Bruice Journal of the American Chemical Society 120 (29), 7192-7200, 1998 | 42 | 1998 |
| Conformational preferences for hydroxyl groups in substituted tetrahydropyrans YJ Zheng, SM Le Grand, KM Merz Jr Journal of computational chemistry 13 (6), 772-791, 1992 | 42 | 1992 |
