Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures
文献类型：期刊论文
| 作者 | Sponer, Jiri2,3; Cang, Xiaohui4; Cheatham, Thomas E., III1 |
| 刊名 | METHODS
 |
| 出版日期 | 2012-05 |
| 卷号 | 57期号:1页码:25-39 |
| 关键词 | Molecular dynamics simulations Guanine quadruplex DNA ligand binding Force field limitations Force field development |
| ISSN号 | 1046-2023 |
| DOI | 10.1016/j.ymeth.2012.04.005 |
| 文献子类 | Review |
| 英文摘要 | The article reviews the application of biomolecular simulation methods to understand the structure, dynamics and interactions of nucleic acids with a focus on explicit solvent molecular dynamics simulations of guanine quadruplex (G-DNA and G-RNA) molecules. While primarily dealing with these exciting and highly relevant four-stranded systems, where recent and past simulations have provided several interesting results and novel insight into G-DNA structure, the review provides some general perspectives on the applicability of the simulation techniques to nucleic acids. (C) 2012 Elsevier Inc. All rights reserved. |
| WOS关键词 | TELOMERIC G-QUADRUPLEX ; FREE-ENERGY PERTURBATION ; PARALLEL G-QUADRUPLEXES ; EMPIRICAL FORCE-FIELD ; B-DNA ; DOUBLE HELIX ; BASE-PAIR ; A-DNA ; NMR STRUCTURE ; CONFORMATIONAL ENERGIES |
| 资助项目 | Grant Agency of the Czech Republic[P208/11/1822] ; CEITEC - Central European Institute of Technology from European Regional Development Fund[CZ.1.05/1.1.00/02.0068] ; NIH[R01-GM081411] |
| WOS研究方向 | Biochemistry & Molecular Biology |
| 语种 | 英语 |
| WOS记录号 | WOS:000307912100004 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278083]  |
| 专题 | 新药研究国家重点实验室 中科院受体结构与功能重点实验室 |
| 通讯作者 | Sponer, Jiri |
| 作者单位 | 1.Univ Utah, Coll Pharm, Dept Med Chem, Salt Lake City, UT 84112 USA 2.Acad Sci Czech Republ, Inst Biophys, CS-61265 Brno, Czech Republic; 3.Masaryk Univ, CEITEC Cent European Inst Technol, Brno 62500, Czech Republic; 4.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Sponer, Jiri,Cang, Xiaohui,Cheatham, Thomas E., III. Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures[J]. METHODS,2012,57(1):25-39. |
| APA | Sponer, Jiri,Cang, Xiaohui,&Cheatham, Thomas E., III.(2012).Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures.METHODS,57(1),25-39. |
| MLA | Sponer, Jiri,et al."Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures".METHODS 57.1(2012):25-39. |
入库方式： OAI收割
来源：上海药物研究所
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