We have recently achieved a fundamental result in deriving an exact analytical solution for computing the screened electrostatic interaction between arbitrary numbers of �proteins� of arbitrarily complex charge distributions, assuming they are well described by spherical low dielectric cavities in a higher dielectric salty medium. More recently we have derived a new PB semi-analytical method (PB-SAM) for solving the screened electrostatics for arbitrarily shaped dielectric cavities by combining both a boundary element and our analytical model formalism. Extending PB-SAM to derive force and torque expressions that fully account for mutual polarization in both the zero and first order derivative of the surface charges, we are able to simulate for the first time the protein concentration effects on the biomolecular rate of association of proteins associated with crowding conditions.

Dependence of the biomolecular rate of protein-protein association under crowding conditions

244th National Meeting (2012)

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