Reproducing ensemble averaged electrostatics with super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes (Q2173447)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Reproducing ensemble averaged electrostatics with super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes |
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Reproducing ensemble averaged electrostatics with super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes (English)
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22 April 2020
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protein complexes
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molecular dynamics simulations
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reduction of the computational demand
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electrostatic component
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