Supporting PDB2PQR
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 PDB2PQR 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
Unni S, Huang Y, Hanson RM, Tobias M, Krishnan S, Li WW, Nielsen JE, Baker NA. Web servers and services for electrostatics calculations with APBS and PDB2PQR. J Comput Chem, 32 (7), 1488-1491, 2011. http://dx.doi.org/10.1002/jcc.21720
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://dx.doi.org/10.1093/nar/gkm276
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, W665-7, 2004. http://dx.doi.org/10.1093/nar/gkh381
Supporting organizations
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
Start-up funding