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Volumn 181, Issue 6, 2010, Pages 1150-1160
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AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems
a
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Author keywords
Boundary integral equation; Diagonal translations; Fast multipole methods; Krylov subspace methods; Node patch method; Poisson Boltzmann equation
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Indexed keywords
BIOMOLECULAR SYSTEM;
BOUNDARY ELEMENTS;
BOUNDARY INTEGRALS;
BOUNDARY MESHES;
CATALOGUE IDENTIFIERS;
DATA ANALYSIS;
DISCRETIZATION SCHEME;
DISTRIBUTED PROGRAM;
DYNAMICS SIMULATION;
ELECTROSTATIC INTERACTIONS;
ELECTROSTATIC POTENTIALS;
EXPONENTIAL EXPANSION;
FAST MULTIPOLE;
FAST MULTIPOLE METHOD;
FORTRAN;
FORTRAN PROGRAMS;
IONIC SOLUTIONS;
IRELAND;
KRYLOV SUBSPACE ITERATIVE SOLVERS;
KRYLOV SUBSPACE METHOD;
KRYLOV SUBSPACE METHODS;
KRYLOV SUBSPACE SOLVERS;
MATRIX VECTOR MULTIPLICATION;
MEMORY-ALLOCATION FUNCTION;
MOLECULAR SYSTEMS;
MULTIPOLES;
NUMBER OF ITERATIONS;
NUMERICAL SOLUTION;
NUMERICAL SOLVERS;
OPERATING SYSTEMS;
POISSON-BOLTZMANN;
POISSON-BOLTZMANN EQUATIONS;
POST PROCESSING;
PRE-PROCESSING;
PREPROCESSING TOOLS;
PROGRAMMING LANGUAGE;
REVERSE COMMUNICATION;
RUNNING TIME;
SIGNIFICANT DIGITS;
SOLUTION METHODS;
STAND -ALONE;
TEST DATA;
TIME STEPPING METHOD;
UTILITY TOOL;
BOLTZMANN EQUATION;
BOUNDARY INTEGRAL EQUATIONS;
COMMUNICATION;
COMPUTER OPERATING SYSTEMS;
DATA VISUALIZATION;
ELECTROSTATICS;
FORTRAN (PROGRAMMING LANGUAGE);
HYPERSONIC AERODYNAMICS;
LIBRARIES;
LINEAR SYSTEMS;
LINEARIZATION;
MESH GENERATION;
NUMBER THEORY;
NUMERICAL ANALYSIS;
SOFTWARE PACKAGES;
SUBROUTINES;
TEST FACILITIES;
VISUALIZATION;
POISSON EQUATION;
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EID: 77950630374
PISSN: 00104655
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cpc.2010.02.015 Document Type: Article |
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Times cited : (49)
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References (30)
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