Shun-Chuan Albert Chen

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In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson-Boltzmann equation. Our approach combines several important features including the derivative boundary formulation of the problem and a smooth approximation of the molecular surface based on the algebraic spline molecular(More)
The Poisson-Boltzmann equation is a partial differential equation that describes the electrostatic behavior of molecules in ionic solutions. Significant efforts have been devoted to accurate and efficient computation for solving this equation. In this paper, we developed a boundary element framework based on the linear time fast multipole method for solving(More)
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computation of biomolecular electrostatics based on an all-atomic solution of the Poisson-Boltzmann (PB) equation for smaller proteins and nucleic acids, relatively little has been done to(More)
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