PCE: Protein Continuum Electrostatics - pKa calculations
This is an interface to electrostatic calculations using D. Bashford' MEAD program.
Warning: Due to the important computational cost and methodologic limitations, pKa calculations are currently restricted to less than 50 titratable sites. Titratable amino-acid types are: ASP, GLU, LYS, ARG, HIS, TYR, CYS although by default, TYR and CYS are not considered. If the query structure contains more than 50 titratable sites, the calculation will be unreliable.