THEORY OF ELECTROSTATIC INTERACTIONS IN MACROMOLECULES

被引:184
作者
GILSON, MK
机构
[1] Center for Advanced Research in Biotechnology, Rockville, MD 20850-3479
关键词
D O I
10.1016/0959-440X(95)80079-4
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
In the past year, substantial progress has been made in the modeling of electrostatic interactions in biomolecules. This review highlights advances in the following areas: first, the efficient computation of long-range electrostatic interactions in detailed molecular simulations; second, the application of the Poisson-Boltzmann electrostatic model in conformational analysis; third, the application of the Poisson-Boltzmann model in quantum chemistry calculations; fourth, the development of atomic parameters; and finally, the modeling of ionization equilibria in proteins.
引用
收藏
页码:216 / 223
页数:8
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