核酸结构的分子建模：设置与分析。
Molecular modeling of nucleic acid structure: setup and analysis.
作者信息
Cheatham T E, Brooks B R, Kollman P A
机构信息
University of Utah, Salt Lake City, Utah, USA.
出版信息
Curr Protoc Nucleic Acid Chem. 2001 Nov;Chapter 7:Unit 7.10. doi: 10.1002/0471142700.nc0710s06.
Abstract
The last in a set of units by these authors, this unit addresses some important remaining questions about molecular modeling of nucleic acids. It describes how to choose an appropriate molecular mechanics force field; how to set up and equilibrate the system for accurate simulation of a nucleic acid in an explicit solvent by molecular dynamics or Monte Carlo simulation; and how to analyze molecular dynamics trajectories.
摘要
这是这些作者所著系列单元中的最后一个单元，该单元探讨了核酸分子建模中一些仍未解决的重要问题。它描述了如何选择合适的分子力学力场；如何通过分子动力学或蒙特卡罗模拟在显式溶剂中设置并平衡系统以精确模拟核酸；以及如何分析分子动力学轨迹。
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