Software:DelPhi References

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References:

  1. W.Rocchia, E.Alexov, and B.Honig. Extending the Applicability of the Nonlinear Poisson-Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions. J. Phys. Chem. B 105(28):6507-6514 (2001)
  2. B.Honig and A.Nicholls. Classical electrostatics in biology and chemistry. Science. 268(5214):1144-9 (1995)
  3. A-S.Yang, M.R.Gunner, R.Sampogna, K.Sharp and B.Honig. On the Calculation of pKas in Proteins. Proteins. 15(3):252-65 (1993)
  4. A.Nicholls and B.Honig. A Rapid Finite Difference Algorithm, Utilizing Successive Over-Relaxation to Solve the Poisson-Boltzmann Equation. J. Comp. Chem. 12, 435-445 (1991)
  5. M.K.Gilson and B.Honig. Calculation of the Total Electrostatic Energy of a Macromolecular System: Solvation Energies, Binding Energies and Conformational Analysis. Proteins, 4, 7-18 (1988)
  6. M.K.Gilson, K.Sharp and B.Honig. Calculating the Electrostatic Potential of Molecules in Solution: Method and error assessment. J. Comp. Chem. 9, 327-335 (1987)
  7. I.Klapper, R.Hagstrom, R.Fine, K.Sharp and B.Honig. Focussing of Electric Fields in the Active Site of Cu-Zn Superoxide Dismutase: Effects of Ionic Strength and Amino Acid Modification. Proteins, 1, 47-59 (1986)


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DelPhi is supported by a funding from the National Science Foundation Grant # DBI-9904841

Developed in the Honig Lab

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