Citing your use of our software
- Please acknowledge your use of PDB2PQR by citing:
- Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA. PDB2PQR: Expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res, 35, W522-5, 2007. http://nar.oxfordjournals.org/content/35/suppl_2/W522
- Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA. PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Res, 32, W665-W667, 2004. http://nar.oxfordjournals.org/content/32/suppl_2/W665.abstract
- Please acknowledge your use of PEOE_PB protein/ligand parameterization software by citing:
- Please acknowledge your use of APBS by citing:
- 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 the Holst group software by citing:
- For the multigrid solver:
- Holst and F. Saied, Multigrid solution of the Poisson-Boltzmann equation. J. Comput. Chem. 14, 105-113, 1993.
- 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: