Poisson-Boltzmann electrostatic

Note that it is fairly common in the literature for continuum solvation calculations to be reported as having been carried out using Poisson-Boltzmann electrostatics even when no electrolyte concentration is being considered, i.e., the Poisson equation is considered a special case of the PB equation and not named separately. 

Dolinsky, T. J., Nielsen, J. E., McCammon, J. A., and Baker, N. A. (2004). PDB2PQR an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Res. 32, W665-W667. 

Two further energy functions based on Poisson-Boltzmann electrostatics and atomic solvation parameter (ASP)-based parameterizations of the solvation free energy changes43 were evaluated by Weng et al.57 in the context of side-chain optimization after rigid-body docking. 

Figure 2.5 (a) Poisson-Boltzmann electrostatic surface potential of chloroperoxidase at pH 7.0 (blue represents areas of positive charge and red, areas of negative charge) and (b) calculated charge on chloroperoxidase as a function of pH. Reprinted with permission from [51], Copyright (2007) American Chemical Society. 

Ewing, T.J.A. and Lyhrand, T.P. (1994) A comparison of perturbation methods and Poisson-Boltzmann electrostatics calculations for estimation of relative solvation free energies, J. Phys. Chem. 98, 1748-1752. 

CHARMM + finite difference Poisson Boltzmann electrostatics... 

R. E. Bruccoleri, J. Novotny, M. E. Davis, and K. A. Sharp, J. Comput. Chem., 18, 268 (1997). Einite Difference Poisson-Boltzmann Electrostatic Calculations Increased Accuracy Achieved by Harmonic Dielectric Smoothing and Charge Antialiasing. 

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