Please register as a user!¶
Please help ensure continued support for APBS-PDB2PQR by registering your use of our software.
Citing our software¶
If you use APBS in your research, please cite one or more of the following papers:
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 G-W, Holst MJ, McCammon JA, Baker NA. Improvements to the APBS biomolecular solvation software suite. Protein Sci, 27 (1), 112-128, 2018. https://doi.org/10.1002/pro.3280
Bank and M. Holst, A New Paradigm for Parallel Adaptive Meshing Algorithms. SIAM Review 45, 291-323, 2003. http://epubs.siam.org/doi/abs/10.1137/S003614450342061
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
Holst, Adaptive numerical treatment of elliptic systems on manifolds. Advances in Computational Mathematics 15, 139-191, 2001 http://dx.doi.org/10.1023/A:1014246117321
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.
Holst and F. Saied, Multigrid solution of the Poisson-Boltzmann equation. J. Comput. Chem. 14, 105-113, 1993.
The PDB2PQR authors would like to give special thanks to the supporting organizations behind the APBS and PDB2PQR software:
- National Institutes of Health
Primary source of funding for APBS via grant GM069702
- National Biomedical Computation Resource
Deployment and computational resources support from 2002 to 2020
- National Partnership for Advanced Computational Infrastructure
Funding and computational resources
- Washington University in St. Louis