tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules

@article{Seeliger2009tCONCOORDGUIVS,
  title={tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules},
  author={Daniel Seeliger and Bert L. de Groot},
  journal={Journal of computational chemistry},
  year={2009},
  volume={30 7},
  pages={1160-6}
}
Conformational flexibility of bioactive molecules poses a major challenge to computational biology. tCONCOORD generates structure ensembles based on geometrical considerations and has been successfully applied to predict protein conformational flexibility and essential degrees of freedom. We have now developed a graphical user interface (GUI) for tCONCOORD… CONTINUE READING