Computational redesign of human butyrylcholinesterase for anticocaine medicationYongmei Pan, Chang‐Guo Zhan, Daquan Gao et al.|Proceedings of the National Academy of Sciences|2005Cited by 185
Free Energy Perturbation (FEP) Simulation on the Transition States of Cocaine Hydrolysis Catalyzed by Human Butyrylcholinesterase and Its MutantsYongmei Pan, Chang‐Guo Zhan, Daquan Gao et al.|Journal of the American Chemical Society|2007Cited by 78
Computational Design of a Human Butyrylcholinesterase Mutant for Accelerating Cocaine Hydrolysis Based on the Transition‐State SimulationDaquan Gao, Chang‐Guo Zhan, Hoon Cho et al.|Angewandte Chemie International Edition|2005Cited by 74
Free-Energy Perturbation Simulation on Transition States and Redesign of ButyrylcholinesteraseWen‐Chao Yang, Chang‐Guo Zhan, Yongmei Pan et al.|Biophysical Journal|2009Cited by 61
Free Energy Perturbation Simulation on Transition States and High-Activity Mutants of Human Butyrylcholinesterase for (−)-Cocaine HydrolysisWen‐Chao Yang, Chang‐Guo Zhan, Yongmei Pan et al.|The Journal of Physical Chemistry B|2010Cited by 25