Modeling supramolecular assemblages

被引：16

作者：

Elcock, AH ^{[1
]}

机构：

[1] Univ Iowa, Dept Biochem, Iowa City, IA 52242 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2002年 / 12卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(02)00303-2

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：

There has been some progress (but not much) in simulating supramolecular assemblages in the past year. The two main technical advances have been, firstly, the establishment of a protocol for extracting equilibrium thermodynamic data from forced (i.e. nonequilibrium) simulations and experiments, and, secondly, the development of a method for accurately calculating the electrostatics of enormous systems. Some recent applications have demonstrated the increasing feasibility of performing meaningful simulations of very large systems.

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页码：154 / 160

页数：7

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