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CONDUCTOR, a fast, efficient and robust tool for continuum solvation computations for macromolecules

By Randy Zauhar and Andre Juffer
This introduces CONDUCTOR, an algorithm for computing solvation effects for large molecules using the continuum approximation. While we represent electrostatic polarization by the mechanism of induced surface charge, we avoid the explicit computation of a Green function as found with the Boundary Element Method (BEM). Instead, we assume as a... Show more
April 12, 2024
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CONDUCTOR, a fast, efficient and robust tool for continuum solvation computations for macromolecules
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