Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy

被引：0
|
作者：
Zhou, ZX
Payne, P
Vasquez, M
Kuhn, N
Levitt, M
机构：
[1] PROT DESIGN LABS INC,MT VIEW,CA 94043
[2] STANFORD UNIV,SCH MED,DEPT BIOL STRUCT,STANFORD,CA 94305
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1996年 / 17卷 / 11期
关键词：
D O I：
10.1002/(SICI)1096-987X(199608)17:11<1344::AID-JCC7>3.3.CO;2-K
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new procedure to solve the Poisson-Boltzmann equation is proposed and shown to be efficient. The electrostatic potential due to the reaction field is calculated directly. Self-interactions among the charges are completely eliminated. Therefore, the reference calculation to cancel out the self-energy is not needed. (C) 1996 by John Wiley & Sons, Inc.
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收藏
页码：1344 / 1351
页数：8
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