| Most efficient cocaine hydrolase designed by virtual screening of transition states F Zheng, W Yang, MC Ko, J Liu, H Cho, D Gao, M Tong, HH Tai, ... Journal of the American Chemical Society 130 (36), 12148-12155, 2008 | 200 | 2008 |
| Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure CG Zhan, F Zheng, DA Dixon Journal of the American Chemical Society 124 (49), 14795-14803, 2002 | 193 | 2002 |
| Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase CG Zhan, F Zheng, DW Landry Journal of the American Chemical Society 125 (9), 2462-2474, 2003 | 165 | 2003 |
| Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine L Xue, MC Ko, M Tong, W Yang, S Hou, L Fang, J Liu, F Zheng, JH Woods, ... Molecular Pharmacology 79 (2), 290-297, 2011 | 107 | 2011 |
| Theoretical studies of reaction pathways and energy barriers for alkaline hydrolysis of phosphotriesterase substrates paraoxon and related toxic phosphofluoridate nerve agents F Zheng, CG Zhan, RL Ornstein Journal of the Chemical Society, Perkin Transactions 2, 2355-2363, 2001 | 106 | 2001 |
| A highly efficient cocaine-detoxifying enzyme obtained by computational design F Zheng, L Xue, S Hou, J Liu, M Zhan, W Yang, CG Zhan Nature Communications 5, 3457, 2014 | 88 | 2014 |
| First computational evidence for a catalytic bridging hydroxide ion in a phosphodiesterase active site CG Zhan, F Zheng Journal of the American Chemical Society 123 (12), 2835-2838, 2001 | 79 | 2001 |
| Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase W Yang, Y Pan, F Zheng, H Cho, HH Tai, CG Zhan Biophysical Journal 96 (5), 1931-1938, 2009 | 65 | 2009 |
| Improved Prediction of Blood–Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints Y Yuan, F Zheng, CG Zhan The AAPS Journal 20 (3), 54, 2018 | 63 | 2018 |
| Long-acting cocaine hydrolase for addiction therapy X Chen, L Xue, S Hou, Z Jin, T Zhang, F Zheng, CG Zhan Proceedings of the National Academy of Sciences 113 (2), 422-427, 2016 | 63 | 2016 |
| Are pharmacokinetic approaches feasible for treatment of cocaine addiction and overdose? F Zheng, CG Zhan Future Medicinal Chemistry 4 (2), 125-128, 2012 | 63 | 2012 |
| Design of high-activity mutants of human butyrylcholinesterase against (−)-cocaine: structural and energetic factors affecting the catalytic efficiency F Zheng, W Yang, L Xue, S Hou, J Liu, CG Zhan Biochemistry 49 (42), 9113-9119, 2010 | 63 | 2010 |
| Structure-and-mechanism-based design and discovery of therapeutics for cocaine overdose and addiction F Zheng, CG Zhan Organic & Biomolecular Chemistry 6 (5), 836-843, 2008 | 59 | 2008 |
| QSAR modeling of mono-and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release F Zheng, E Bayram, SP Sumithran, JT Ayers, CG Zhan, JD Schmitt, ... Bioorganic & Medicinal Chemistry 14 (9), 3017-3037, 2006 | 58 | 2006 |
| Theoretical determination of two structural forms of the active site in cadmium-containing phosphotriesterases F Zheng, CG Zhan, RL Ornstein The Journal of Physical Chemistry B 106 (3), 717-722, 2002 | 58 | 2002 |
| Modeling subtype-selective agonists binding with α4β2 and α7 nicotinic acetylcholine receptors: effects of local binding and long-range electrostatic interactions X Huang, F Zheng, X Chen, PA Crooks, LP Dwoskin, CG Zhan Journal of Medicinal Chemistry 49 (26), 7661-7674, 2006 | 57 | 2006 |
| Modeling multiple species of nicotine and deschloroepibatidine interacting with α4β2 nicotinic acetylcholine receptor: from microscopic binding to phenomenological binding affinity X Huang, F Zheng, PA Crooks, LP Dwoskin, CG Zhan Journal of the American Chemical Society 127 (41), 14401-14414, 2005 | 56 | 2005 |
| Modeling of pharmacokinetics of cocaine in human reveals the feasibility for development of enzyme therapies for drugs of abuse F Zheng, CG Zhan PLoS Computational Biology 8 (7), e1002610, 2012 | 52 | 2012 |
| Structure-based discovery of mPGES-1 inhibitors suitable for preclinical testing in wild-type mice as a new generation of anti-inflammatory drugs K Ding, Z Zhou, S Hou, Y Yuan, S Zhou, X Zheng, J Chen, C Loftin, ... Scientific Reports 8 (1), 5205, 2018 | 47 | 2018 |
| Kinetic characterization of high-activity mutants of human butyrylcholinesterase for the cocaine metabolite norcocaine M Zhan, S Hou, CG Zhan, F Zheng Biochemical Journal 457 (1), 197-206, 2014 | 47 | 2014 |
