Efficient solution technique for solving the Poisson-Boltzmann equation
نویسندگان
چکیده
منابع مشابه
Efficient solution technique for solving the Poisson-Boltzmann equation
The Poisson-Boltzmann (PB) equation has been extensively used to analyze the energetics and structure of proteins and other significant biomolecules immersed in electrolyte media. A new highly efficient approach for solving PB-type equations that allows for the modeling of many-atoms structures such as encountered in cell biology, virology, and nanotechnology is presented. We accomplish these e...
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Discretization of non-linear Poisson-Boltzmann Equation equations results in a system of non-linear equations with symmetric Jacobian. The Newton algorithm is the most useful tool for solving non-linear equations. It consists of solving a series of linear system of equations (Jacobian system). In this article, we adaptively define the tolerance of the Jacobian systems. Numerical experiment show...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2004
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.20039