Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions

Journal of Computational Physics

Volumn 229, Issue 19, 2010, Pages 6979-6994

  Lu, Benzhuo ^a   Holst, Michael J ^b   Andrew McCammon, J ^b   Zhou, Y C ^c  

^a INSTITUTE OF COMPUTATIONAL MATHEMATICS AND SCIENTIFIC ENGINEERING COMPUTING   (China)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c Department of Environmental and Radiological Health Sciences   (United States)

Author keywords

Boundary condition; Conditioning; Electrodiffusion; Finite element; Molecular surface; Poisson Nernst Planck equations; Singular charges

Indexed keywords

BIOMOLECULES; BOUNDARY CONDITIONS; CHARGED PARTICLES; DIFFUSION; ELECTROSTATICS; FINITE ELEMENT METHOD; NEWTON-RAPHSON METHOD; NONLINEAR EQUATIONS; NUMERICAL METHODS; POISSON EQUATION; STIFFNESS;

BIOMOLECULAR DIFFUSION; CONDITIONING; DIFFUSION-REACTION PROCESS; ELECTRODIFFUSION; FINITE ELEMENT; MOLECULAR SURFACES; NERNST-PLANCK EQUATIONS; POISSON-NERNST-PLANCK EQUATIONS; SINGULAR CHARGE; STIFFNESS MATRICES;

STIFFNESS MATRIX;

EID: 77955272371     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2010.05.035     Document Type: Article

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