Citing your use of our softwareΒΆ

Please acknowledge your us of our software by citing:

  • Jurrus E, Engel D, Star K, Monson K, Brandi J, Felberg LE, Brookes DH, Wilson L, Chen J, Liles K, Chun M, Li P, Gohara DW, Dolinsky T, Konecny R, Koes DR, Nielsen JE, Head-Gordon T, Geng W, Krasny R, Wei GW, Holst MJ, McCammon JA, Baker NA. Improvements to the APBS biomolecular solvation software suite. Protein Science, 27, 112-128, 2018. http://dx.doi.org/10.1002/pro.3280

You may also wish to include one or more of the following citations:

  • Original PDB2PQR citations
  • Original APBS citation
    • Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. http://www.pnas.org/content/98/18/10037
    • Additional articles discussing APBS and the PBE are available from the [suggested reading]
  • Please acknowledge your use of PEOE_PB protein/ligand parameterization software by citing:
  • Please acknowledge your use of the Holst group software by citing:
    • For the multigrid solver:
        1. Holst and F. Saied, Multigrid solution of the Poisson-Boltzmann equation. J. Comput. Chem. 14, 105-113, 1993.
        1. Holst and F. Saied, Numerical solution of the nonlinear Poisson-Boltzmann equation: Developing more robust and efficient methods. J. Comput. Chem. 16, 337-364, 1995.
    • For the finite element solver: