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Journal of Biomolecular Structure and Dynamics Volume 11, 1994 - Issue 6
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Original Articles

Protein Electrostatics: Rapid Multigrid-Based Newton Algorithm for Solution of the Full Nonlinear Poisson-Boltzmann Equation

M. Holst Numerical Computing Group Department of Computer Science, University of Illinois at Urbana-Champaign, Urbana, IL, 61801
,
R. E. Kozack National Center for Supercomputing Applications Department of Physiology and Biophysics, Beckman Institute for Advanced Science University of Illinois at Urbana-Champaign, Urbana, IL, 61801
,
F. Saied Numerical Computing Group Department of Computer Science, University of Illinois at Urbana-Champaign, Urbana, IL, 61801
&
S. Subramaniam National Center for Supercomputing Applications Department of Physiology and Biophysics, Beckman Institute for Advanced Science University of Illinois at Urbana-Champaign, Urbana, IL, 61801
Pages 1437-1445 | Received 17 Dec 1993, Published online: 21 May 2012

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Frank Eisenhaber, Bengt Persson & Patrick Argos. (1995) Protein Structure Prediction: Recognition of Primary, Secondary, and Tertiary Structural Features from Amino Acid Sequence. Critical Reviews in Biochemistry and Molecular Biology 30:1, pages 1-94.
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S.P. Slagle, R.E. Kozack & S. Subramaniam. (1994) Role of Electrostatics in Antibody-Antigen Association: Anti-Hen Egg Lysozyme/Lysozyme Complex (HyHEL-5/HEL). Journal of Biomolecular Structure and Dynamics 12:2, pages 439-456.
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David S. Cerutti, Nathan A. Baker & J. Andrew McCammon. (2007) Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?. The Journal of Chemical Physics 127:15.
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Benzhuo Lu, Xiaolin Cheng, Tingjun Hou & J. Andrew McCammon. (2005) Calculation of the Maxwell stress tensor and the Poisson-Boltzmann force on a solvated molecular surface using hypersingular boundary integrals. The Journal of Chemical Physics 123:8.
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Benzhuo Lu, Deqiang Zhang & J. Andrew McCammon. (2005) Computation of electrostatic forces between solvated molecules determined by the Poisson–Boltzmann equation using a boundary element method. The Journal of Chemical Physics 122:21.
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Victor Sivozhelezov & Claudio Nicolini. (2005) Homology modeling of cytochrome P450scc and the mutations for optimal amperometric sensor. Journal of Theoretical Biology 234:4, pages 479-485.
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Alexander H. Boschitsch & Marcia O. Fenley. (2004) Hybrid boundary element and finite difference method for solving the nonlinear Poisson-Boltzmann equation. Journal of Computational Chemistry 25:7, pages 935-955.
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David S. Cerutti, Chung F. Wong & J. Andrew McCammon. (2003) Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: Effects of biomolecular dielectric. Biopolymers 70:3, pages 391-402.
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X Thibert-Plante, D.A Yuen & A.P Vincent. (2003) A simple spectral algorithm for solving large-scale Poisson equation in 2D. Computer Physics Communications 154:2, pages 89-97.
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F. Fogolari, A. Brigo & H. Molinari. (2002) The Poisson–Boltzmann equation for biomolecular electrostatics: a tool for structural biology. Journal of Molecular Recognition 15:6, pages 377-392.
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Kim A. Sharp. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Jeffry D. Madura, James M. Briggs, Rebecca C. Wade & Razif R. Gabdoulline. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Kim A. Sharp. 2002. Computational Approaches to Biochemical Reactivity. Computational Approaches to Biochemical Reactivity 199 235 .
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Norma M. Allewell, Himanshu Oberoi, Meena Hariharan & Vince J. LiCata. 1999. Protein Volume 2. Protein Volume 2 61 97 .
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Thomas Dandekar & Rainer König. (1997) Computational methods for the prediction of protein folds. Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology 1343:1, pages 1-15.
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Gerald Böhm. (1996) New approaches in molecular structure prediction. Biophysical Chemistry 59:1-2, pages 1-32.
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Marc Bénard. 1996. Molecular Electrostatic Potentials - Concepts and Applications. Molecular Electrostatic Potentials - Concepts and Applications 457 508 .
Kim A. Sharp. (2004) Polyelectrolyte electrostatics: Salt dependence, entropic, and enthalpic contributions to free energy in the nonlinear Poisson–Boltzmann model. Biopolymers 36:2, pages 227-243.
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Kim A Sharp & Barry Honig. (1995) Salt effects on nucleic acids. Current Opinion in Structural Biology 5:3, pages 323-328.
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