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Showing 1 to 1 of 1 for “"bioelectrostatics"”.
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Investigating the effect of charge hydration asymmetry and incorporating it in continuum solvation framework
One of the essential requirements of biomolecular modeling is an accurate description of water as a solvent. The challenge is to make this description computationally facile -- reasonably fast, simple, robust and easy to incorporate into existing software packages, yet accurate. The most rigorous …