Original paper
Calculations of the binding affinities of protein-protein complexes with the fast multipole method
Volume: 133, Issue: 9
Published: Sep 2, 2010
Abstract
In this paper, we used a coarse-grained model at the residue level to calculate the binding free energies of three protein-protein complexes. General formulations to calculate the electrostatic binding free energy and the van der Waals free energy are presented by solving linearized Poisson-Boltzmann equations using the boundary element method in combination with the fast multipole method. The residue level model with the fast multipole method...
Paper Details
Title
Calculations of the binding affinities of protein-protein complexes with the fast multipole method
Published Date
Sep 2, 2010
Volume
133
Issue
9
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Notes
History