Speed and accuracy tradeoffs in molecular electrostatic computation
In this study, we consider electrostatics contributed from the molecules in the ionic solution. It plays a significant role in determining the binding affinity of molecules and drugs. We develop the overall framework of computing electrostatic properties for three-dimensional molecular structures, i...
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Format: | Others |
Language: | English |
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2010
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Online Access: | http://hdl.handle.net/2152/ETD-UT-2009-12-598 |