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 pr...
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Virginia Tech
2016
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| Online Access: | http://hdl.handle.net/10919/72901 |