Computation of Electrostatic Forces on Solvated Molecules Using the Poisson-Boltzmann Equation

@inproceedings{Michael2001ComputationOE,
  title={Computation of Electrostatic Forces on Solvated Molecules Using the Poisson-Boltzmann Equation},
  author={Michael and K. and Gilson and ' Malcolm E. Davis and ' Brock and A. Luty and James Andrew McCammon},
  year={2001}
}
Numerical solutions of the Poisson-Boltzmann equation (PBE) have found wide application in the computation of electrostatic energies of hydrated molecules, including biological macromolecules. However, solving the PBE for electrostatic forces has proved more difficult, largely because of the challenge of computing the pressures exerted by a high dielectric aqueous solvent on the solute surface. This paper describes an accurate method for computing these forces. We begin by presenting a novel… CONTINUE READING
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