First-principles calculation of pK(a) for cocaine, nicotine, neurotransmitters, and anilines in aqueous solution

Por Lu, Haiting, Chen, Xi, Zhan, Chang-Guo
Publicado em 2007

Characterization of the Structures of Phosphodiesterase 10 Binding with Adenosine 3´,5´-Monophosphate and Guanosine 3´,5´-Monophosphate by Hybrid Quantum Mechanical/Molecular Mecha...

Por Lu, Haiting, Goren, Alan C., Zhan, Chang-Guo
Publicado em 2010

Protective Effect of Tetramethylpyrazine on Myocardial Ischemia-Reperfusion Injury

Por Qian, Weidong, Xiong, Xingjiang, Fang, Zhuyuan, Lu, Haiting, Wang, Zhensheng
Publicado em 2014

Binding Free Energies for Nicotine Analogs Inhibiting Cytochrome P450 2A6 by a Combined Use of Molecular Dynamics Simulations and QM/MM-PBSA Calculations

Por Lu, Haiting, Huang, Xiaoqin, AbdulHameed, Mohamed Diwan M., Zhan, Chang-Guo
Publicado em 2014