| 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 |
| Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules W Yu, SK Lakkaraju, EP Raman, L Fang, AD MacKerell Jr Journal of chemical information and modeling 55 (2), 407-420, 2015 | 84 | 2015 |
| Characterization of a high-activity mutant of human butyrylcholinesterase against (−)-cocaine W Yang, L Xue, L Fang, X Chen, CG Zhan Chemico-biological interactions 187 (1-3), 148-152, 2010 | 77 | 2010 |
| Computational prediction of mutational effects on SARS-CoV-2 binding by relative free energy calculations J Zou, J Yin, L Fang, M Yang, T Wang, W Wu, MA Bellucci, P Zhang Journal of chemical information and modeling 60 (12), 5794-5802, 2020 | 75 | 2020 |
| Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: Insights from molecular dynamics simulations L Fang, Y Pan, JL Muzyka, CG Zhan The Journal of Physical Chemistry B 115 (27), 8797-8805, 2011 | 72 | 2011 |
| High‐Valent Cobalt‐Catalyzed C− H Activation/Annulation of 2‐Benzamidopyridine 1‐Oxide with Terminal Alkyne: A Combined Theoretical and Experimental Study Y Wang, C Du, Y Wang, X Guo, L Fang, MP Song, JL Niu, D Wei Advanced Synthesis & Catalysis 360 (14), 2668-2677, 2018 | 62 | 2018 |
| Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors SK Lakkaraju, W Yu, EP Raman, AV Hershfeld, L Fang, DA Deshpande, ... Journal of chemical information and modeling 55 (3), 700-708, 2015 | 61 | 2015 |
| Reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of acetylcholine X Chen, L Fang, J Liu, CG Zhan The Journal of Physical Chemistry B 115 (5), 1315-1322, 2011 | 52 | 2011 |
| Reaction pathway and free energy profiles for butyrylcholinesterase-catalyzed hydrolysis of acetylthiocholine X Chen, L Fang, J Liu, CG Zhan Biochemistry 51 (6), 1297-1305, 2012 | 49 | 2012 |
| Preparation and in vivo characterization of a cocaine hydrolase engineered from human butyrylcholinesterase for metabolizing cocaine L Xue, S Hou, M Tong, L Fang, X Chen, Z Jin, HH Tai, F Zheng, CG Zhan Biochemical Journal 453 (3), 447-454, 2013 | 45 | 2013 |
| Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification L Fang, KM Chow, S Hou, L Xue, X Chen, DW Rodgers, F Zheng, ... ACS chemical biology 9 (8), 1764-1772, 2014 | 42 | 2014 |
| Fundamental reaction pathway for peptide metabolism by proteasome: insights from first-principles quantum mechanical/molecular mechanical free energy calculations D Wei, L Fang, M Tang, CG Zhan The Journal of Physical Chemistry B 117 (43), 13418-13434, 2013 | 38 | 2013 |
| Substrate selectivity of high-activity mutants of human butyrylcholinesterase S Hou, L Xue, W Yang, L Fang, F Zheng, CG Zhan Organic & biomolecular chemistry 11 (43), 7477-7485, 2013 | 38 | 2013 |
| Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (−)-cocaine hydrolysis W Yang, Y Pan, L Fang, D Gao, F Zheng, CG Zhan The Journal of Physical Chemistry B 114 (33), 10889-10896, 2010 | 33 | 2010 |
| Catalytic activities of a cocaine hydrolase engineered from human butyrylcholinesterase against (+)-and (−)-cocaine L Xue, S Hou, W Yang, L Fang, F Zheng, CG Zhan Chemico-biological interactions 203 (1), 57-62, 2013 | 26 | 2013 |
| Studies of the mechanism of selectivity of protein tyrosine phosphatase 1B (PTP1B) bidentate inhibitors using molecular dynamics simulations and free energy calculations L Fang, H Zhang, W Cui, M Ji Journal of chemical information and modeling 48 (10), 2030-2041, 2008 | 25 | 2008 |
| Influence of sugar amine regiochemistry on digitoxigenin neoglycoside anticancer activity J Zhang, LV Ponomareva, NS Nandurkar, Y Yuan, L Fang, CG Zhan, ... ACS Medicinal Chemistry Letters 6 (10), 1053-1058, 2015 | 24 | 2015 |
| Amino-acid mutations to extend the biological half-life of a therapeutically valuable mutant of human butyrylcholinesterase L Fang, S Hou, L Xue, F Zheng, CG Zhan Chemico-biological interactions 214, 18-25, 2014 | 22 | 2014 |
| Ruthmycin, a New Tetracyclic Polyketide from Streptomyces sp. RM-4-15 X Wang, SI Elshahawi, KA Shaaban, L Fang, LV Ponomareva, Y Zhang, ... Organic letters 16 (2), 456-459, 2013 | 22 | 2013 |
| Unexpected protonation state of Glu197 discovered from simulations of tacrine in butyrylcholinesterase X Wan, Y Yao, L Fang, J Liu Physical Chemistry Chemical Physics 20 (21), 14938-14946, 2018 | 11 | 2018 |
Chang-Guo ZhanProfessor of Pharmaceutical Sciences, University of KentuckyVerified email at uky.edu
