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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Bibliographic Details
Main Author: Chen, Shun-Chuan, 1979-
Other Authors: Bajaj, Chandrajit
Format: Others
Language:English
Published: 2010
Subjects:
Online Access:http://hdl.handle.net/2152/ETD-UT-2009-12-598