Molecular dynamics simulations of DNA and its complexes

被引：2

作者：

Khalid, S ^{[1
]}

Rodger, PM ^{[1
]}

机构：

[1] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England

来源：

PROGRESS IN REACTION KINETICS AND MECHANISM | 2004年 / 29卷 / 03期

关键词：

molecular dynamics; molecular simulation; DNA; DNA-ligand interactions; cisplatin; molecular recognition; nucleic acids; sequence specificity; Hoechst; Netropsin;

D O I：

10.3184/007967404777726232

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This article describes how classical molecular simulation methods are being used to gain a molecular-level understanding of the interaction mechanisms responsible for DNA-ligand recognition, and that govern the response of DNA to ligand binding. Case studies using a variety of different ligands-including small pharmaceutical drugs, proteins and lipids-are used to illustrate the power of modem molecular dynamics simulation methods for understanding how we may control the function and structure of DNA.

引用

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页码：167 / 186

页数：20

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