A boundary element formulation of protein electrostatics with explicit ions (Q876460)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A boundary element formulation of protein electrostatics with explicit ions |
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A boundary element formulation of protein electrostatics with explicit ions (English)
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18 April 2007
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The authors propose a novel formulation to compute the electrostatic potential in and around two biomolecules in a solvent with ionic strength. Ionic strength is described by means of explicit ions which leads to three Poisson equations for the electrostatic potential with transmission conditions on the dielectric boundaries of the molecules. The authors describe in great detail the boundary element solution of the resulting integral equations.
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protein
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electrostatics
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boundary element method
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ionic strength
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explicit ions
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potential of mean force
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computer simulation
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coarse-grained model
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