Improving implicit solvent simulations: a Poisson-centric view

被引：303

作者：

Baker, NA ^{[1
]}

机构：

[1] Washington Univ, Dept Biochem & Mol Biophys, Ctr Computat Biol, St Louis, MO 63110 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2005年 / 15卷 / 02期

关键词：

D O I：

10.1016/j.sbi.2005.02.001

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Recent developments in implicit solvent models may be compared in terms of accuracy and computational efficiency. Based on improvements in the accuracy of generalized Born methods and the speed of Poisson-Boltzmann solvers, it appears that the two techniques are converging to a point at which both will be suitable for simulating certain types of biomolecular systems over sizable time and length scales.

引用

页码：137 / 143

页数：7

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