Computational alanine scanning and free energy decomposition for E. coli type I signal peptidase with lipopeptide inhibitor complex.

@article{Li2008ComputationalAS,
  title={Computational alanine scanning and free energy decomposition for E. coli type I signal peptidase with lipopeptide inhibitor complex.},
  author={Tingting Li and Matheus Froeyen and Piet Herdewijn},
  journal={Journal of molecular graphics & modelling},
  year={2008},
  volume={26 5},
  pages={813-23}
}
A thorough investigation of different roles of Escherichia coli type I signal peptidase residues binding to lipopeptide inhibitor has been performed by a combination of computational alanine scanning mutagenesis and free energy decomposition methods. PB and GB models are both used to evaluate the binding free energy in computational alanine scanning method… CONTINUE READING