What is PEOE_PB?

PEOE_PB is the partial charge optimization method developed by Paul Czodrowski for Poisson-Boltzmann electrostatics calculations. More information can be found in the following publication:

Czodrowski P, Dramburg I, Sotriffer CA, Klebe G. Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes. Proteins, 65, 424-437 (2006). http://dx.doi.org/10.1002/prot.21110
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