Dielectric boundary smoothing in finite difference solutions of the poisson equation: An approach to improve accuracy and convergence

Electrostatic Interactions in Macromolecules: Theory and Applications

1990 • 1,324 citations

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

1990 • 1,056 citations

Focusing of electric fields in the active site of Cu‐Zn superoxide dismutase: Effects of ionic strength and amino‐acid modification

1986 • 759 citations

Electrostatics in biomolecular structure and dynamics

1990 • 695 citations

Brownian Dynamics of Cytochrome c and Cytochrome c Peroxidase Association

1988 • 290 citations

Electrostatic interactions in globular proteins: Calculation of the pH dependence of the redox potential of cytochrome c551

1985 • 157 citations

Point charge distributions and electrostatic steering in enzyme/substrate encounter: Brownian dynamics of modified copper/zinc superoxide dismutases

1990 • 123 citations

Destabilization of an alpha-helix-bundle protein by helix dipoles.

1989 • 63 citations

Electrostatic fields in the active sites of lysozymes.

1989 • 56 citations

Investigating protein-protein interaction surfaces using a reduced stereochemical and electrostatic model

1989 • 47 citations

Regular representation of irregular charge distributions

1984 • 28 citations

Brownian dynamics simulation of diffusional encounters between triose phosphate isomerase and D-glyceraldehyde phosphate

1989 • 25 citations