Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies.

@article{Yang2016NovelBP,
  title={Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies.},
  author={Zhiwei Yang and Fei Wu and Xiaohui Yuan and Lei Zhang and Shengli Zhang},
  journal={Journal of molecular graphics & modelling},
  year={2016},
  volume={65},
  pages={27-34}
}
Recently, ganoderic acids (GAs) give rise to the attractive candidates of novel neuraminidase (NA) inhibitors. However, there is still no evident conclusion about their binding patterns. To this end, docking, molecular dynamics and MM/PBSA methods were combined to study the binding profiles of GAs with the N1 protein and familiar H274Y and N294S mutations… CONTINUE READING