π–π Stacking mediated drug–drug interactions in human CYP2E1

@article{Liu2013SM,
  title={$\pi$–$\pi$ Stacking mediated drug–drug interactions in human CYP2E1},
  author={Yue Liu and B. Liu and Pei Hao and Xuan Li and Yi-Xue Li and Jing-Fang Wang},
  journal={Proteins: Structure},
  year={2013},
  volume={81}
}
Because of having many low molecular mass substrates, CYP2E1 is of particular interests to the pharmaceutical industry. Many evidences showed that this enzyme can adopt multiple substrates to significantly reduce the oxidation rate of the substrates. The detailed mechanism for this observation is still unclear. In the current study, we employed GPU‐accelerated molecular dynamics simulations to study the multiple‐binding mode of human CYP2E1, with an aim of offering a mechanistic explanation for… Expand
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