Simbios Talk by Patrice Koehl, Dept. of Computer Science and Genome Center, UC Davis, February 20, 2008
In the second part of the talk, I will describe a new way to calculate the electrostatics properties of macromolecules that goes beyond the classical PBE. The solvent region is no longer modeled as an homogeneous dielectric media but rather as an assembly of self-orienting dipoles of variable density. This new model unifies the Poisson-centric view and the Langevin dipole model, yielding a Generalized Poisson-Boltzmann Langevin (GPBL) equation. |

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