Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations

Christian Bartels, Armin Widmer, Claus Ehrhardt. Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations. Journal of Computational Chemistry, 26(12):1294-1305, 2005. [doi]

@article{BartelsWE05,
  title = {Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations},
  author = {Christian Bartels and Armin Widmer and Claus Ehrhardt},
  year = {2005},
  doi = {10.1002/jcc.20270},
  url = {http://dx.doi.org/10.1002/jcc.20270},
  researchr = {https://researchr.org/publication/BartelsWE05},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {26},
  number = {12},
  pages = {1294-1305},
}